"LIPID_ID" "CLASSIFICA" "CLASS" "CHEM_NA" "COMMON_NA" "SYMBOL" "GROUP_NA" "MOL_FORMULA" "FORMULA_C" "FORMULA_H" "FORMULA_O" "FORMULA_N" "FORMULA_P" "FORMULA_S" "MOL_WT" "STRUCTURE" "STR_1" "STR_2" "STR_3" "STR_4" "STR_5" "STR_6" "STR_7" "STR_8" "STR_9" "STR_10" "STR_11" "C_No" "ABBREVIATION" "FATTY ACID" "REF_STR" "MELT_PT" "BOIL_PT" "OPT_ROT" "REFRA_IND" "DENSITY" "SOLUBILITY" "REF_PRP" "UV_SPEC" "IR_SPEC" "NMR_SPEC" "MS_SPEC" "NOTE_SPEC" "REF_SPC" "SOURCE" "REF_SOU" "BIOL_ACTIV" "REF_BA" "NOTE" "REF_NOTE" "Page" "BA0001" 5.00 "3α,19-DIHYDROXY-5β-CHOLAN-24-OIC ACID" "19-HYDROXYLITHOCHOLIC ACID" "19-OH-LCA" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " (REF: )" " \/\" " モH オ" " HO /\ォ\ COOH" " \カ カスコ" " /\ォ\/ナ" " オカ カ H" " ユハ/レ/" " H OH H" "220-222゚C(FROM AcOEt)(206)" "[α]23/D=+35.8゚(C=0.62,MeOH)(206)" "206/" "(NUJOL) 3350, 2700, 1710cm-1(206)" "1H-NMR(PYRIDINE-d6) 0.62(s,18-Me), 0.96(d,21-Me), 3.72,4.12(d,19-Me), 4.00(m,3β-H)(206)" "Me-TMS: M/E 535(M-15),460(M-90),370(M-90x2),357(M-90-103),255 (207) Me-DMES: 549,461(M-117),371,357(M-104-117),255(206)" "206/207/" "ヒト胎児の肝臓とリトコール酸をインキュベートすることにより生じる。(207/208)" "207/208/" "bileaci.html" "BA0002" 5.00 "3α,7α,19-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "19-HYDROXYCHENODEOXYCHOLIC ACID" "19-OH-CDCA" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " (REF: )" " \/\" " モH オ" " HO /\ォ\ COOH" " \カ カスコ" " /\ォ\/ナ" " オカ カ H" " ユハ/レ/ラ" " H OH H H OH" "129-130゚C(FROM AcOEt)(206)" "[α]20/D=+21.1゚(C=0.59,MeOH)(206)" "206/" "(NUJOL) 3350, 2650, 1700cm-1(206)" "1H-NMR(PYRIDINE-d6) 0.72(s,18-Me), 1.04(d,21-Me), 3.88,4.23(d,19-Me), 3.94(m,3β-H),4.07(brs,7β-H)(206)" "Me-DMES M/Z 651,547,472,459(M-104-117),369,355(M-2x104-117),253 (206)" "206/" "bileaciPage2.html" "BA0003" 5.00 "3α,12α,19-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "19-HYDROXYDEOXYCHOLIC ACID" "19-OH-DCA" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " (REF: )" " H HO\/\" " メト モH オ" " HO /\ォ\ COOH" " \カ カスコ" " /\ォ\/ナ" " オカ カ H" " ユハ/レ/" " H OH H" "138-140゚C(FROM AcOEt)(206)" "[α]23/D=+58.5゚(C=1.36,MeOH)(206)" "206/" "(NUJOL) 3350, 2650, 1690cm-1(206)" "1H-NMR(PYRIDINE-d6) 0.73(s,18-Me), 1.16(d,21-Me), 3.57,3.82(d,19-Me), 3.90(m,3β-H), 4.16(brs,12β-H)(206)" "Me-DMES M/Z 472,459(M-104-117),369,355(M-2x104-117),253 (206)" "206/" "bileaciPage3.html" "BA0004" 5.00 "3α-HYDROXY-6-OXO-5α-CHOLAN-24-OIC ACID" "C24H38O4" 24.00 38.00 4.00 0.00 0.00 0.00 390 " \/\ (REF:077)" " モH|" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " ユハ/ハ/" " H OH H ‖" " O" "077/" "187-188゚C(077)" "[α]/D=-9゚ (078)" "077/078/" "1H-NMR(CDCl3) (079) 18-CH3=0.67(s), 19-CH3=0.73(s), 21-CH3=0.95, 3β-H=4.16(W1/2=12Hz)" "Me-TMS 476, 461, 447(BASE PEAK), 386, 371, 305, 229 (003)" "079/003/" "ブタ胆汁(080)" "080/" "bileaciPage4.html" "BA0005" 5.00 "3α-HYDROXY-7-OXO-5β-CHOLAN-24-OIC ACID" "7-KETOLITHOCHOLIC ACID" "7-KLCA" "C24H38O4" 24.00 38.00 4.00 0.00 0.00 0.00 390 " \/\ (REF:081)" " モH|" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " ユハ/レ/ク" " H OH H O" "081/" "202-203゚C(081)" "[α]25/D=-28゚ (DIOXANE)(081)" "081/" "IH-NMR(CDCl3) (082) 3α-Oac, 24-CO2Me 18-CH3=0.67(s), 19-CH3=0.72(s), 21-CH3=0.95(d), 3β-H= 4.5-4.9(b), 3α-OCOCH3=2.04(s), 24-COOCH3=3.70(s)" "Me-TMS 476, 461, 458, 386(BASE PEAK), 368, 313, 293, 253 (003)" "082/003/" "ブタ胆汁(083),COYPU (カイサネズミ,ヌートリア)の胆汁(084/085/086),ニワトリの胆汁(087),哺乳動物の胆汁(087),ヒト糞便(004/018/019)" "083/084/085/086/087/004/018/019/" "bileaciPage5.html" "BA0006" 5.00 "7α-HYDROXY-3-OXO-5β-CHOLAN-24-OIC ACID" "C24H38O4" 24.00 38.00 4.00 0.00 0.00 0.00 390 " \/\ (REF:058)" " モH|" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " キ\/レ/ラ" " O H H OH" "058/" "125゚C(Me ESTER)(058)" "058/" "1H-NMR(PYR-d5) Me ESTER (023) 18-CH3=0.71(s), 19-CH3=1.02(s), 7β-H=3.92(brm), 24COOMe=3.68(s)" "Me-TMS 476, 461, 386(BASE PEAK), 371, 353, 316, 271, 253 (003)" "023/003/" "ヒト糞便(015/018)" "015/018/" "bileaciPage6.html" "BA0007" 5.00 "3α-HYDROXY-12-OXO-5β-CHOLAN-24-OIC ACID" "12-KETOLITHOCHOLIC ACID" "12-KLCA" "C24H38O4" 24.00 38.00 4.00 0.00 0.00 0.00 390 " O \/\" " ‖ モH|" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " ユハ/レ/" " H OH H" "164-165゚C, 111-112゚C(Me ESTER )(088)" "[α]/D=+86.6゚ (DIOXANE)(088)" "088/" "IH-NMR (CDCl3) Me ESTER (089)18-CH3, 19-CH3=1.02, 3β-H=2.29(b)" "Me-TMS 476, 386, 371, 321, 271, 253, 231(BASE PEAK) (003)" "089/003/" "最初に牛の胆汁中より確認(090),SEVERAL SPECIESの糞便(052),ヒト糞便(015), 肝胆道疾患患者の尿(021/061/091/092)および糞便(092)" "090/052/015/021/061/091/092/" "bileaciPage7.html" "BA0008" 5.00 "3β-HYDROXY-12-OXO-5β-CHOLAN-24-OIC ACID" "C24H38O4" 24.00 38.00 4.00 0.00 0.00 0.00 390 " O \/\ (REF:093)" " ‖ モH|" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " ユハ/レ/" " OH H H" "093/" "218-219゚, 129-130゚C(Me ESTER)(093)" "093/" "Me-TMS 476, 386, 271, 231, 229, 121 (021)" "021/" "ヒト(015/018/093) ウサギの糞便(017) 肝胆道疾患患者の尿(021/037)" "015/018/093/017/021/037/" "bileaciPage8.html" "BA0009" 5.00 "12α-HYDROXY-3-OXO-5β-CHOLAN-24-OIC ACID" "C24H38O4" 24.00 38.00 4.00 0.00 0.00 0.00 390 " H OH\/\" " メト モH|" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " キ\/レ/" " O H" "112-120(094),111(aq.EtOH)OR 119(EtOAc)BUBBLING(095)" "[α]/D=+48゚ (094)" "094/" "cm-1 1720(C=0) (095)" "1H-NMR (CDCl3) (095) 18-CH3=0.72(s), 19-CH3=1.00(s), 21-CH3=1.00(d), 12β-H=4.03(brs)" "Me-TMS 461, 431, 386, 271(BASE PEAK), 253, 208 (003)" "095/003/" "ヒト糞便(004/015/018)" "004/015/018/" "bileaciPage9.html" "BA0010" 5.00 "3,12-DIOXO-5β-CHOLAN-24-OIC ACID" "DEHYDRODEOXYCHOLIC ACID" "C24H36O4" 24.00 36.00 4.00 0.00 0.00 0.00 388 " O \/\" " ‖ モH|" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " キ\/レ/" " O H" "187゚C, 129-130゚C(Me ESTER)(052)" "[α]/D=+92゚ (052)" "052/" "1H-NMR (CDCl3) COOMe (089), 18-CH3=1.07(s), 19-CH3=1.12(s)13C-NMR(CDCl3) Me ESTER (030), C1=36.8,C2=36.8,C3=211.6,C4=42.0,C5=43.7, C6=25.5,C7=26.6,C8=35.4,C9=44.3,C10=35.6,C11=38.3,C12=213.7,C13=57.5,C14=58.5,C15=24.2,C16=27.4,C17=46.5,C18=11.7" "Me-TMS 402, 384, 329, 269, 247(BASE PEAK), 229 (003)" "089/030/003/" "ヒト糞便(015/018)" "015/018/" "bileaciPage10.html" "BA0011" 5.00 "3α,6α,7α-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "HYOCHOLIC ACID" "HCA" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " \/\" " モH|" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " ユハ/レ/ラ" " H OH H ラH OH" " HOH" "187-188゚C(031)" "[α]27/D=+8゚ (031)" "0.0045mM(WATER SOLUBILITY IN PROTONATED FORM)(012)" "031/012/" "cm-1 1718(C=0) 3430, 1050(OH) (012)" "1H-NMR(CDCl3+10%DMSO-d6), 18-CH3=0.65(s), 19-CH3=0.90(s), 21-CH3=0.93(d,J= 5.4Hz), 3β-H=3.39(brm), 6β,7β-H=3.82(m) 13C-NMR(CDCl3) Me ESTER, C1=35.5,C2=30.4,C3=71.7,C4=32.6,C5=47.8,C6=71.9,C7=69.6,C8=38.6,C9=32.5,C10=35.9,C14=58.5,C15=24.2,C16=27.4,C17" "Me-TMS 548, 533, 458(BASE PEAK), 443, 405, 369, 253 (003)" "096/003/" "ブタ胆汁(097/098),肝胆道疾患患者の尿(021/036/037/038/043/066)および 血漿 (036/043)" "097/098/021/036/037/038/043/066/" "bileaciPage11.html" "BA0012" 5.00 "3α,6β7α-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "α-MURICHOLIC ACID" "α-MCA" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " \/\" " モH|" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " ユハ/レ/ラ" " H OH H ラH OH" " OH H" "199-200゚C, 97-98゚C(Me ESTER)(099)" "[α]/D=+38゚ (099)" "099/" "cm-1 1710(C=0) 3400, 1045, 1018 (OH) (096)" "1H-NMR(CDCl3+10%DMSO-d6), 18-CH3=0.69(s), 19-CH3=1.08(s), 21-CH3=0.94(d,J= 5.4Hz), 3β-H=3.40(brm), 6α,7β-H=3.69(m) 13C-NMR(CDCl3) Me ESTER, C1=35.7,C2=30.1,C3=71.4,C4=36.1,C5=48.0,C6=76.5,C7=72.7,C8=35.3,C9=32.9,C10=34.7,C11=20.4,C12=39.5,C13=42.6,C14" "Me-TMS 638, 548, 458(BASE PEAK), 443, 403, 368, 285, 195 (003)" "096/003/" "マウス,ラット胆汁(100)" "100/" "bileaciPage12.html" "BA0013" 5.00 "3α,6β,7β-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "β-MURICHOLIC ACID" "β-MCA" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " \/\ (REF:031)" " モH|" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " ユハ/レ/ラ" " H OH H ラOHH" " OH H" "031/" "225-226゚C(031)" "[α]/D=+62゚ (031)" "031/" "cm-1 1695 (C=0) 3425, 1052 (OH) (096)" "1H-NMR(CDCl3+20%DMSO-d6), 18-CH3=0.68(s), 19-CH3=1.08(s), 21-CH3=0.94(d,J= 6.3Hz), 3β,7α-H=3.50(brm),6α-H=3.61(m) 13C-NMR(CDCl3) Me ESTER, C1=35.4,C2=29.9,C3=70.9,C4=35.4,C5=47.2,C6=75.4,C7=73.5,C8=38.5,C9=39.6,C10=33.8,C11=20.8,C12=39.9,C13=43.7,C14=" "Me-TMS 548, 533, 458, 369, 351, 285, 253, 195(BASE PEAK) (003)" "096/003/" "マウス,ラット胆汁(100),黄疸ラットの尿(101)" "100/101/" "bileaciPage13.html" "BA0014" 5.00 "3α,6α,7β-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "ω-MURICHOLIC ACID" "ω-MCA" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " \/\ (REF:096)" " モH|" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " ユハ/レ/ラ" " H OH H ラOHH" " H OH" "096/" "162-164゚C(096)" "096/" "cm-1 1690(C=0) 3400, 1045(OH) (096)" "1H-NMR(CDCl3+10%DMSO-d6), 18-CH3=0.66(s), 19-CH3=0.93(s), 3β,7α-H=3.40 (brm), 6β-H=3.68(brm) 13C-NMR(CDCl3) Me ESTER, C1=35.3,C2=30.9,C3=71.2,C4=29.9,C5=47.6,C6=73.0,C7=75.4,C8=41.7,C9=39.7,C10=35.3,C11=21.2,C12=40.0,C13=43.8,C14=55.0,C15=26.7,C16=" "Me-TMS 548, 533, 458, 369, 285, 253, 195(BASE PEAK) (003)" "096/003/" "ラット糞便,胆汁(052)" "052/" "bileaciPage14.html" "BA0015" 5.00 "3α,7α,12α-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "CHOLIC ACID" "CA" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " H OH\/\" " メト モH|" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " ユハ/レ/ラ" " H OH H H OH" "197-198゚C, 156-157゚C(Me ESTER)(053)" "[α]/D=+37゚ (053)" "0.273mM(WATER SOLUBILITY IN PROTONATED FORM)(012)" "053/012/" "1H-NMR(CD3OD)(002),18-CH3=0.71(s),19-CH3=0.92(s),21-CH3=1.01(d),3β-H=3.45 (brm),7β-H=3.80(m),12β-H=3.96(m),23-CH2=2.20 13C-NMR(CDCl3)Me ESTER, C1=35.3,C2=30.1,C3=71.7,C4=39.4,C5=41.4,C6=34.7,C7=68.3,C8=39.4,C9=26.2,C10=34.7,C11=28.0,C12=73.0,C13=46.3" "Me-TMS 638, 548, 458, 368, 353, 343, 253(BASE PEAK), 226 (003)" "002/060/003/" "たいていの脊椎動物の胆汁,糞便中に存在(魚類,ヘビ,鳥類,哺乳類)(052)" "052/" "もっともCOMMONな胆汁酸" "bileaciPage15.html" "BA0016" 5.00 "3α,7α,12β-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " OH H\/\ (REF:102)" " メト モH|" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " ユハ/レ/ラ" " H OH H H OH" "102/" "200-201.5゚C(102)" "[α]/D=+30.5゚ (EtOH) (102)" "102/" "1H-NMR(ACETONE-d6:D2O) (102), 18-CH3=0.71(s), 19-CH3=0.91(s), 3β-H,12α-H=3.40(brm) 13C-NMR(CDCl3) Me ESTER, C1=34.8,C2=30.6,C3=71.4,C4=39.3,C5=41.2,C6=35.2,C7=67.7,C8=38.0,C9=32.0,C10=34.8,C11=29.3,C12=78.9,C13=47.5,C14=48.5,C15=22.9,C16=23.7,C17=57.0," "Me-TMS 623, 548, 458, 368, 343, 253(BASE PEAK), 227 (003)" "102/060/003/" "bileaciPage16.html" "BA0017" 5.00 "3α,7β,12α-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "URSOCHOLIC ACID" "UCA" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " H OH\/\" " メト モH|" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " ユハ/レ/ラ" " H OH H OH H" "127-129゚C(103)" "1.67mM (WATER SOLUBILITY IN PROTONATED FORM) (012)" "103/012/" "cm-1(KBr) 1704(C=0) 3448, 1042, 1010, 957(OH) (103)" "1H-NMR(CDCl3+10%Me2SO-d6+D2O)(103),18-CH3=0.69(s),19-CH3=0.91(s),3β-H,7α-H=3.51(brm),12β-H=3.91(m), 13C-NMR(CDCl3) Me ESTER (060),C1=34.2,C2=29.1, C3=71.0,C4=36.9,C5=42.6,C6=36.6,C7=71.0,C8=43.5,C9=31.2,C10=33.9,C11=27.7,C12=72.2,C13=47.5,C14=47.2,C15" "Me-TMS 623, 548, 458, 433, 368, 343, 253(BASE PEAK), 208 (003)" "103/060/003/" "犬(104),ラット(105),ヒトの糞便(015/106/107),ヒト胆汁(108),ラットの胆汁 (コール酸の腸内細菌の代謝物として)(105),肝胆道疾患患者の尿(036/021/037/ 038/066)および血清 (036)" "104/105/015/106/107/108/036/021/037/038/066/036/" "bileaciPage17.html" "BA0018" 5.00 "3β,7α,12α-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " H OH\/\" " メト モH|" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " ユハ/レ/ラ" " OH H H H OH" "196.5-197゚C, 185-187゚C(Me ESTER)(102)" "102/" "1H-NMR(CDCl3) Me ESTER(102),18-CH3=0.68(s),19-CH3=0.91(s),3α-H,12β-H=4.01(m),7β-3.86(m),COOCH3=3.64(S), 13C-NMR(CDCl3) Me ESTER (109),C1=29.8,C2= 27.7,C3=66.9,C4=36.6,C5=35.9,C6=35.2,C7=68.5,C8=39.5,C9=25.9,C10=34.3,C11=28.6,C12=72.8,C13=46.6,C14=41." "Me-TMS 623, 548, 458, 368, 343, 285, 261, 253(BASE PEAK) (003)" "102/109/003/" "ヒト(107),犬(104)の糞便" "107/104/" "bileaciPage18.html" "BA0019" 5.00 "3α,7β,12β-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " HO H\/\ (REF:103)" " メト モH|" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " ユハ/レ/ラ" " H OH H OHH" "103/" "191.5-193゚C(103)" "103/" "cm-1 1701(C=0) 3636, 3448, 1049, 1010, 954(OH) 103)" "1H-NMR (CDCl3+10%Me2SO+D2O)(103),18-CH3=0.71(s),19-CH3=0.92(s),3β-H,7α-H,12α-H=3.44(brm), 13C-NMR (CDCl3) Me ESTER (060), C1=34.8,C2=30.1,C3=70.6, C4=36.9,C5=42.1,C6=36.9,C7=70.6,C8=42.1,C9=37.9,C10=33.8,C11=29.1,C12=79.1,C13=48.6,C14=54.2,C15=26.2,C1" "Me-TMS 623, 548, 458, 433, 368, 343, 253(BASE PEAK) (003)" "103/060/003/" "bileaciPage19.html" "BA0020" 5.00 "3β,7α,12β-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " OH H\/\ (REF:102)" " メト モH|" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " ユハ/レ/ラ" " OH H H H OH" "102/" "225-226゚C(102)" "[α]/D=+23.4゚(EtOH)(102)" "102/" "1H-NMR(CD3COCD3-D2O) (102),18-CH3=0.73(s),19-CH3=0.95(s),3α-H=3.97(m),7β-H=3.82(m),12α-H=3.43(brm) 13C-NMR(CDCl3) Me ESTER (060), C1=29.8,C2=27.7,C3=66.6,C4=36.5,C5=35.7,C6=35.4,C7=68.2,C8=38.0,C9=31.3,C10=34.4,C11=29.3,C12=79.0,C13=47.6,C14=48.6,C15" "Me ESTER 422(M+), 420(M-2), 404(M-18) (102)" "102/060/" "bileaciPage20.html" "BA0021" 5.00 "3β,7β,12α-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " H OH\/\ (REF:110)" " メト モH|" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " ユハ/レ/ラ" " OH H H OHH" "110/" "164.5-165.5゚C(110)" "110/" "cm-1(KBr) 1730(C=0) 3636,3509,1031,1020,990,954(OH) (110)" "1H-NMR (CDCl3+10%Me2SO-d6+D2O)(110),18-CH3=0.70(s),19-CH3=0.94(s),7α-H=3.56(brm),3α-H,12β-H=3.96(m), 13C-NMR(CDCl3) Me ESTER (060),C1=29.3,C2=27.7,C3=66.2,C4=34.3,C5=36.9,C6=36.6,C7=71.0,C8=43.5,C9=31.2,C10=33.9,C11=29.2,C12=72.2,C13=47.5,C14=47.2,C15" "Me-TMS 623, 458, 433, 368, 343, 253 (021)" "110/060/021/" "ヒト糞便(107),肝胆道疾患患者の尿(021/037/066)" "107/021/037/066/" "bileaciPage21.html" "BA0022" 5.00 "3β,7β,12β-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " OH H\/\ (REF:103)" " メト モH|" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " ユハ/レ/ラ" " OH H H OHH" "103/" "164.5-167゚C(103)" "103/" "cm-1(KBr) 1695(C=0) 3448, 3333, 1020, 1004, 957(OH) (103)" "1H-NMR(CDCl3+10%Me2SO-d6-D2O) (103),18-CH3=0.70(s),19-CH3=0.94(s),7α-H, 12α-H=3.40(brm),3α-H=3.93(m),13C-NMR(CDCl3) Me ESTER (060),C1=29.0,C2=27.6,C3=66.1,C4=34.4,C5=36.9,C6=36.7,C7=71.0,C8=42.1,C9=37.2,C10=34.4,C11=29.5,C12=72.2,C13=47.5,C14=47.2,C15" "103/060/" "bileaciPage22.html" "BA0023" 5.00 "3α,12α,16α-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "PYTHOCHOLIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " COOH" " H OH\/\/" " メト モH OH" " /ェ/\ト" " オ | コヤ" " /\ォ\ヒシ H" " | | | H" " ユハ/レ/" " H OH H" "186-187゚C, 146-148゚C (Me ESTER)(111)" "[α]/D=+28゚ (111/112)" "111/112/" "Me-TMS 638, 548, 462, 301, 281, 253, 191, 73(BASE PEAK) (003)" "003/" "ニシキヘビ(111)" "111/" "デオキシコール酸(DCA)の水酸化物(113)" "113/" "PYTHOCHOLIC ACID のこの名はPYTHON(ヘビ)の主胆汁酸なのでついた." "bileaciPage23.html" "BA0024" 5.00 "3α,12α,23-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "BITOCHOLIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " OH" " H OH\/\/" " メト モH オ" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " ユハ/レ/" " H OH H" "AMORPHOUS, 114-123゚C (Me ESTER)(052)" "[α]/D=+48゚ (052)" "052/" "Me-TMS 623, 458, 345, 309, 283, 255(BASE PEAK), 143 (003)" "003/" "ヘビ(BITIS ARIETANTS, BITIS GABONICA, RUSSELL'S VIPER)(052/114),クサリヘビ" "052/114/" "bileaciPage24.html" "BA0025" 5.00 "3α,7α,12α-TRIHYDROXY-5α-CHOLAN-24-OIC ACID" "ALLOCHOLIC ACID" "allo-CA" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " H OH\/\" " メト モH オ" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " ユハ/ハ/ラ" " H OH H H OH" "239-241゚C, 227-228.5゚C (Me ESTER)(115)" "[α]/D=+23゚ (115)" "115/" "cm-1 1700(C=0) 3400, 1008(OH) (116)" "1H-NMR(CDCl3+20%DMSO-d6)(116),18-CH3=0.67(s),19-CH3=0.75(s),21-CH3=0.99(d,J=5.4Hz),7β-H=3.74(m),12β-H=3.89(m),3β-H=3.96(m), 13C-NMR(CDCl3) Me ESTER(007),C1=31.9,C2=28.8,C3=66.3,C4=35.5,C5=31.5,C6=36.3,C7=67.9,C8=39.8,C9=39.2,C10=35.8,C11=28.1,C12=72.8" "Me-TMS 638, 623, 548, 458(BASE PEAK), 368, 343, 261, 253, 243 (003)" "116/007/003/" "魚胆汁(115),GIGI FISH(117), 鳥,哺乳動物の胆汁(052),トカゲ,ヒト糞便(107)肝胆道疾患患者の尿(014/021/037/038/066)および血漿中(043)" "115/117/052/107/014/021/037/038/066/043/" "bileaciPage25.html" "BA0026" 5.00 "7α,12α-DIHYDROXY-3-OXO-5β-CHOLAN-24-OIC ACID" "C24H38O5" 24.00 38.00 5.00 0.00 0.00 0.00 406 " H OH\/\" " メト モH オ" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " キ\/レ/ラ" " O H H OH" "180-181゚C(095)" "[α]/D=+38゚ (118)" "095/118/" "cm-1 1708(C=0) (095)" "1H-NMR (CDCl3) (095) 18-CH3=0.70(s), 19-CH3=0.98(s), 21-CH3=0.98(d), 7β-H=3.90(brs), 12β-H=4.01(brm)" "Me-TMS 564, 549, 474, 384, 269(BASE PEAK), 251, 242 (003)" "095/003/" "牛胆汁(134)" "134/" "bileaciPage26.html" "BA0027" 5.00 "3α,12α-DIHYDROXY-7-OXO-5β-CHOLAN-24-OIC ACID" "7-KOTODEOXYCHOLIC ACID" "7-KDCA" "C24H38O5" 24.00 38.00 5.00 0.00 0.00 0.00 406 " H OH\/\" " メト モH オ" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " ユハ/レ/ク" " H OH H O" "200゚C, 157-162゚C (Me ESTER)(001)" "[α]/D=+1.5゚ (001)" "001/" "λMETHANOL/MAX=267nm (ε=44), 220nm (ε=57) (119)" "1H-NMR (DMSO-d6) (119) 18-CH3=0.61(s), 19-CH3=0.93(s), 21-CH3=0.93(d), 23-CH2=2.11(m), 3β-H=3.30(m), 12β-H=3.74(m)" "Me-TMS 564, 549, 474, 456, 366, 359, 341(BASE PEAK), 269, 251 (003)" "119/003/" "牛胆汁(134),ヘビ胆汁(120),サル胆汁(121),ラット胆汁(105),ヒト(104/106/ 107) ,犬(104),ラットの糞便(105),胆汁うっ滞患者尿(014/122),肝硬変患者の 糞便(092)" "134/120/121/105/104/106/107/014/122/092/" "bileaciPage27.html" "BA0028" 5.00 "3α,7α-DIHYDROXY-12-OXO-5β-CHOLAN-24-OIC ACID" "12-KETOCHENODEOXYCHOLIC ACID" "12-KCDCA" "C24H38O5" 24.00 38.00 5.00 0.00 0.00 0.00 406 " O \/\" " ‖ モH オ" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " ユハ/レ/ラ" " H OH H H OH" "219゚C(123)" "[α]/D=+81゚ (123)" "123/" "λMETHANOL/MAX=287nm(ε=41), 220nm(ε=42) (119)" "1H-NMR (DMSO-d6) (119) 18-CH3=0.94(s), 19-CH3=0.96(s), 21-CH3=0.76(d,J=5Hz), 3β-H=3.25(brm), 7β-H=3.70(m), 23-CH2=2.16(m)(119)" "Me-TMS 564, 474, 384, 319, 251, 243, 229(BASE PEAK), 154 (003)" "119/003/" "ヒト糞便(015/107),肝胆道疾患患者の糞便(092),尿(092),胆汁(124)" "015/107/092/124/" "bileaciPage28.html" "BA0029" 5.00 "3α,7α,12α,23-TETRAHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O6" 24.00 40.00 6.00 0.00 0.00 0.00 424 " OH" " H OH\/\/" " メト モH オ" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " ユハ/レ/ラ" " H OH H H OH" "152-154゚C(SOLVATED)(125), 184-185゚C(Et ESTER)(021)" "[α]/D=+36゚ (125)" "021/125/" "Me-TMS 546, 456, 343, 253, 143 (021)" "021/" "アザラシ,トド,ヘビ(クサリヘビ)の胆汁(114/126),肝胆道疾患患者の尿(021/037), CTX患者尿(127)" "114/126/021/037/127/" "ノルコール酸の前駆体" "bileaciPage29.html" "BA0030" 5.00 "1β,3α,7α,12α-TETRAHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O6" 24.00 40.00 6.00 0.00 0.00 0.00 424 " H OH\/\" " メト モH オ" " HO H /ェ/\ COOH" " メト オ | コ" " /\ォ\ヒシ" " | | | H" " ユハ/レ/ラ" " H OH H H OH" "288-290 ゚C(128)" "128/" "cm-1 (NUJOL) 1705(C=0) 3400, 3300 (OH) (128)" "1H-NMR(PYR.d5) (128),18-CH3=0.81(s),19-CH3=1.40(s),1α-H,7β-H,12β-H=4.03-4.38(m),3β-H=4.48-4.86(m),13C-NMR(CD3OD) Me ESTER (129),C1=74.1,C2=38.0, C3=67.3,C4=40.0,C5=37.0,C6=35.5,C7=68.8,C8=41.3,C9=29.5,C10=40.3,C11=29.6,C12=73.8,C13=47.3,C14=42.9,C15" "Me-TMS 636, 546, 456, 366, 314, 251, 217(BASE PEAK)(003)" "128/129/003/" "胆汁うっ滞症患者尿(021/037/066/129),正常人尿(128),腎障害患者尿(128),ヒト胎便(130/131),羊水および新生児尿(131/132)" "021/037/066/129/128/130/131/132/" "1β-水酸化胆汁酸は胎児肝において1β-水酸化酵素によって生成するものと考え られ,また,胎児-新生児期に多量に存在することから,胎児胆汁酸と呼ばれる。" "bileaciPage30.html" "BA0031" 5.00 "3α,6α,7α,12α-TETRAHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O6" 24.00 40.00 6.00 0.00 0.00 0.00 424 " H OH\/\" " メト モH オ" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " ユハ/レ/ラ" " H OH H ラH OH" " H OH" "161-163゚C(WITH PREVIOUS SOFTENING AT 121-124゚C)(133)" "[α]26/D=+23.3゚ (133)" "133/" "IH-NMR(CD3OD) Me ESTER, 18-CH3=0.71, 19-CH3=0.91, 21-CH3=1.00, 3β-H=3.30, 6β-H=3.77,7β-H=3.77, 12β-H=3.94 13C-NMR(CD3OD) Me ESTER,C1=36.7,C2=31.2,C3=72.8,C4=33.2,C5=49.5,C6=70.7,C7=72.8,C8=40.3,C9=27.7,C10=36.7,C11=29.7,C12=73.7,C13=47.5,C14=42.9,C" "Me-TMS 711, 636, 621, 546(BASE PEAK), 531, 456, 367(CA-6α-OL), 353, 351 (003)" "129/003/" "胆汁うっ滞症患者尿(021/037/066/129),新生児尿(132/133/136),胎便(130/133)" "021/037/066/129/132/133/136/130/133/" "CHOLIC ACIDはCHENODEOXYCHOLIC ACID の場合と異なり,主として1β位が水酸化され,6β水酸化は副経路(133)" "133/" "bileaciPage31.html" "BA0032" 5.00 "3α,7β-DIHYDROXY-5α-CHOLAN-24-OIC ACID" "ALLOURSODEOXYCHOLIC ACID" "ALLO-UDCA" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " イアイ" " モH オ" " アイォイ COOH" " オカスコ" " アイォイアナ" " オ オ オ H" " ユハアハアラ" " H OH H OH H" "243.5〜245゚C(069)" "cm-1 1677(C=0) 3300,1032,1003(OH) (069)" "1H-NMR(CDCl3+20%DMSO-d6)0.68(s,18-CH3),0.78(s,19-CH3),0.93(d,J=5.4Hz, 21-CH3),3.40(brm,7αーH),3.95(m,3βーH)(069) 13C-NMR(CDCl3)Me ESTER C1 32.2, C2 29.0,C3 65.9,C4 35.7,C5 36.4,C6 38.4,C7 74.9,C8 43.6,C9 52.8,C10 35.4, C11 20.9,C12 40.0,C13 43.6,C14" "007/069/" "bileaciPage32.html" "BA0033" 5.00 "3β,7α-DIHYDROXY-5α-CHOLAN-24-OIC ACID" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " イアイ" " モH オ" " アイアイ COOH" " オカスコ" " アイォイアナ" " オ オ オ H" " ユハアハアラ" " HO H H H OH" "271〜272゚C,160〜161゚C(Me ESTER)(069)" "069/" "cm-1 1715(C=0) 3550,1042,1024(OH) (069)" "1H-NMR(CDCl3+20%DMSO-d6)0.65(s,18-CH3),0.78(s,19-CH3),0.92(d,J=5.4Hz, 21-CH3),3.53(brm,3αーH),3.74(m,7βーH)(069) 13C-NMR(CDCl3)Me ESTER C1 36.8, C2 31.1,C3 70.8,C4 37.5,C5 36.6,C6 36.3,C7 67.5,C8 39.3,C9 45.6,C10 35.3, C11 20.8,C12 39.3,C13 42.4,C14" "007/069/" "bileaciPage33.html" "BA0034" 5.00 "3β,7β-DIHYDROXY-5α-CHOLAN-24-OIC ACID" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " イアイ" " モ オ" " アイォイ COOH" " オカスコ" " アイォイアナ" " オ オ オ H" " ユハアハアラ" " HO H H OH H" "245.0〜246.5゚C,159〜160゚C(Me ESTER)(069)" "069/" "cm-1 1690(C=0) 3400,1034(OH) (069)" "1H-NMR(CDCl3+20%DMSO-d6)0.67(s,18-CH3),0.91(s,19-CH3),0.93(d,J=6.3Hz,21-CH3),3.35(brm,3αーH AND 7α-H) (069) 13C-NMR(CDCl3)Me ESTER C1 36.8, C2 31.3, C3 70.4,C4 37.7,C5 42.1,C6 38.5,C7 74.6,C8 43.3,C9 52.5,C10 34.8,C11 21.1, C12 39.9,C13 43.3,C14 55.8,C1" "007/069/" "bileaciPage34.html" "BA0035" 5.00 "3α,12β-DIHYDROXY-5α-CHOLAN-24-OIC ACID" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " HO Hイアイ" " メト モH オ" " アイォイ COOH" " オカスコ" " アイォイアナ" " オ オ オ H" " ユハアハア" " H OH H" "206.5〜207.5゚C,143〜144゚C(Me ESTER)(070)" "070/" "cm-1 1680(C=0) 3440,1050,1028,1013,1000,970(OH) (070)" "1H-NMR(CDCl3+20%Me2SO-d6)0.72(s,18-CH3),0.79(s,19-CH3),1.03(d,J=7.2Hz,21- CH3),3.39(brm,12αーH),3.99(m,3β-H) (070) 13C-NMR(CDCl3)Me ESTER C1 32.1, C2 28.8, C3 66.2,C4 35.7,C5 38.9,C6 28.4,C7 32.1,C8 34.1,C9 53.0,C10 35.8, C11 29.4,C12 79.3,C13 47.7,C1" "007/070/003/" "bileaciPage35.html" "BA0036" 5.00 "3β,12α-DIHYDROXY-5α-CHOLAN-24-OIC ACID" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " H HOイアイ" " メト モH オ" " アイォイ COOH" " オカスコ" " アイォイアナ" " オ オ オ H" " ユハアハア" " HO H H" "228.5〜229.5゚C,140〜142゚C(Me ESTER)(070)" "[α]/D=+37.8゚ (METHANOL) (137)" "070/137/" "cm-1 1715(C=0) 3530,1042,1017,982,958(OH) (070)" "1H-NMR(CDCl3+20%Me2SO-d6)0.68(s,18-CH3),0.80(s,19-CH3),1.00(d,J=5.4Hz,21- CH3),3.52(brm,3αーH),3.92(m,12β-H) (070) 13C-NMR(CDCl3)Me ESTER C1 36.7, C2 31.5, C3 70.8,C4 37.9,C5 44.6,C6 28.4,C7 31.2,C8 35.5,C9 47.2,C10 34.9 C11 28.7,C12 72.8,C13 46.2,C14" "Me-TMS 535,460,445,370,355,345,323,255(BASE PEAK) 213 (003)" "003/007/070/137/" "肝胆道疾患患者の尿 (021/037/066)" "021/037/066/" "bileaciPage36.html" "BA0037" 5.00 "3β,12β-DIHYDROXY-5α-CHOLAN-24-OIC ACID" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " OH Hイアイ" " メト モH オ" " アイォイ COOH" " オカスコ" " アイォイアナ" " オ オ オ H" " ユハアハア" " HO H H" "223.5〜225.5゚C,159.0〜160゚C(Me ESTER)(070)" "070/" "cm-1 1715(C=0) 3250,1075,1040,1027,975(OH) (070)" "1H-NMR(CDCl3+20%Me2SO-d6)0.71(s,18-CH3),0.81(s,19-CH3),1.03(d,J=7.2Hz,21- CH3),3.38(brm,3αーH AND 7α-H) (070) 13C-NMR(CDCl3) Me ESTER C1 36.8, C2 31.4, C3 70.7,C4 37.9,C5 44.6,C6 28.4,C7 32.0,C8 34.0,C9 52.9,C10 35.2,C11 29.3,C12 79.1,C13 47.6,C14" "Me-TMS 535,460,445,355,345(BASE PEAK),323,255,208 (003)" "003/007/070/" "bileaciPage37.html" "BA0038" 5.00 "7α,12α-DIHYDROXY-5α-CHOLAN-24-OIC ACID" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " H HOイアイ" " メト モH オ" " アイォイ COOH" " オカスコ" " アイォイアナ" " オ オ オ H" " イアハアラ" " H H OH" "225〜227゚C,165〜166゚C(Me ESTER)(138)" "[α]25/D=+22.0゚ (139)" "138/139/" "cm-1 1719(C=0) 3400,1028(OH) (138)" "1H-NMR(CDCl3+20%DMSO-d6) 0.67(s,18-CH3),0.77(s,19-CH3),0.99(d,J=5.4Hz,21- CH3),3.74(m,7β-H),3.89(m,12β-H) (138) 13C-NMR(CDCl3)Me ESTER C1 38.2, C2 22.0,C3 26.6,C4 28.6,C5 39.1,C6 36.8,C7 67.9,C8 39.7,C9 39.7,C10 35.9 C11 28.3,C12 72.8,C13 46.5,C14" "007/138/139/" "bileaciPage38.html" "BA0039" 5.00 "7α,12β-DIHYDROXY-5α-CHOLAN-24-OIC ACID" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " HO Hイアイ" " メト モH オ" " アイォイ COOH" " オカスコ" " アイォイアナ" " オ オ オ H" " イアハアラ" " H H OH" "168〜170゚C,147.5〜148.0゚C(Me ESTER)(138)" "138/" "cm-1 1708(C=0) 3425,1032,1015(OH) (138)" "1H-NMR(CDCl3+20%DMSO-d6) 0.68(s,18-CH3),0.77(s,19-CH3),1.02(d,J=6.3Hz,21- CH3),3.27(brm,12α-H),3.74(m,7β-H) (138) 13C-NMR(CDCl3)Me ESTER C1 38.3, C2 21.9,C3 26.5,C4 28.4,C5 39.1,C6 36.8,C7 67.6,C8 38.2,C9 45.2,C10 36.2, C11 29.5,C12 78.9,C13 47.6,C14" "007/138/139/" "bileaciPage39.html" "BA0040" 5.00 "7β,12α-DIHYDROXY-5α-CHOLAN-24-OIC ACID" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " H HOイアイ" " メト モH オ" " アイォイ COOH" " オカスコ" " アイォイアナ" " オ オ オ H" " イアハアラ" " H OH H" "207.5〜208.5゚C,133.5〜134.0゚C(Me ESTER)(138)" "138/" "cm-1 1685(C=0) 3300,1028,990(OH) (138)" "1H-NMR(CDCl3+20%DMSO-d6) 0.68(s,18-CH3),0.78(s,19-CH3),0.99(d,J=6.3Hz,21- CH3),3.26(brm,7α-H),3.90(m,12β-H) (138) 13C-NMR(CDCl3)Me ESTER C1 38.5, C2 22.0,C3 26.5,C4 28.5,C5 44.0,C6 38.7,C7 74.9,C8 43.6,C9 45.7,C10 35.2,C11 28.6,C12 72.4,C13 47.3,C14" "007/138/" "bileaciPage40.html" "BA0041" 5.00 "7β,12β-DIHYDROXY-5α-CHOLAN-24-OIC ACID" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " HO Hイアイ" " メト モH オ" " アイォイ COOH" " オカスコ" " アイォイアナ" " オ オ オ H" " イアハアラ" " H OH H" "208〜210゚C,154.5〜156.0゚C(Me ESTER)(138)" "138/" "cm-1 1677(C=0) 3275,1036,1008,990(OH) (138)" "1H-NMR(CDCl3+20%DMSO-d6) 0.72(s,18-CH3),0.80(s,19-CH3),1.00(d,J=6.3Hz,21- CH3),3.26(brm,7α-H AND 12α-H) (138) 13C-NMR(CDCl3)Me ESTER C1 38.6, C2 21.9,C3 26.4,C4 28.5,C5 44.2,C6 38.7,C7 74.8,C8 42.1,C9 51.6,C10 35.5,C11 29.1,C12 79.4,C13 48.5,C14" "007/138/" "bileaciPage41.html" "BA0042" 5.00 "3α,7α,12β-TRIHYDROXY-5α-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " HO Hイアイ" " メト モH オ" " アイォイ COOH" " オカスコ" " アイォイアナ" " オ オ オ H" " ユハアハアラ" " H OH H H OH" "210.5〜212.0゚C,126.0〜127.5゚C(Me ESTER)(116)" "116/" "cm-1 1700(C=0) 3450,1010,995(OH) (116)" "1H-NMR(CDCl3+DMSO-d6) 0.66(s,18-CH3),0.74(s,19-CH3),1.00(d,J=6.3Hz,21-CH3),3.32(brm,12α-H),3.69(m,7β-H),3.90(m,3β-H)(116) 13C-NMR(CDCl3)Me ESTER C1 32.2,C2 28.8,C3 66.2,C4 35.4,C5 31.4,C6 36.4,C7 67.5,C8 38.3,C9 44.8,C10 36.0,C11 29.5,C12 78.9,C13 4" "007/116/" "bileaciPage42.html" "BA0043" 5.00 "3α,7β,12α-TRIHYDROXY-5α-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " HHOイアイ" " メト モH オ" " アイォイ COOH" " オカスコ" " アイォイアナ" " オ オ オ H" " ユハアハアラ" " H OH H OH H" "269〜271,166〜167゚C(Me ESTER)(116), 253〜255゚C(140)" "[α]27/D=+57゚(METHANOL) (140)" "116/140/" "cm-1(KBr) 1675(C=0) 3500,1025,1000(OH) (116)" "1H-NMR(CDCl3+50%DMSO-d6) 0.66(s,18-CH3),0.74(s,19-CH3),0.97(d,J=5.4Hz,21- CH3),3.24(brm,7α-H),3.88(m,3β-H AND 12β-H)(116) 13C-NMR(CDCl3)Me ESTER C1 31.9,C2 28.8,C3 65.7,C4 35.4,C5 36.1,C6 38.2,C7 74.6,C8 43.4,C9 45.1,C1034.8,C11 28.4,C12 72.1,C13 47" "Me-TMS 458,343,253 (021)" "007/021/116/" "肝胆道疾患患者の尿(021)" "021/" "bileaciPage43.html" "BA0044" 5.00 "3β,7α,12α-TRIHYDROXY-5α-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " HHOイアイ" " メト モH オ" " アイォイ COOH" " オカスコ" " アイォイアナ" " オ オ オ H" " ユハアハアラ" " OH H H H OH" "236〜238゚C ,200〜202゚C(Me ESTER)(116)" "[α]25/D=+25.2゚ (139)" "116/139/" "cm-1(KBr) 1705(C=0) 3420,1035(OH) (116)" "1H-NMR(CDCl3+20%DMSO-d6)0.68(s,18-CH3),0.79(s,19-CH3),0.99(d,J=5.4Hz,21-CH3),3.53(brm,3α-H),3.78(m,7β-H),3.91(m,12β-H)(116) 13C-NMR(CDCl3)Me ESTER C1 36.6,C2 31.3,C3 71.0,C4 37.7,C5 37.1,C6 36.5,C7 67.7,C8 39.8,C9 39.3,C10 35.1,C11 28.6,C12 72.8,C13 4" "007/116/139/" "bileaciPage44.html" "BA0045" 5.00 "3α,7β,12β-TRIHYDROXY-5α-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " HO Hイアイ" " メト モH オ" " アイォイ COOH" " オカスコ" " アイォイアナ" " オ オ オ H" " ユハアハアラ" " H OH H OH H" "243〜244゚C,178〜179゚C(Me ESTER)(116)" "116/" "cm-1(KBr) 1735,1710(C=0) 3280,1028,1005(OH) (116)" "1H-NMR(CDCl3+50%DMSO-d6)0.67(s,18-CH3),0.75(s,19-CH3),0.97(d,J=6.3Hz,21-CH3),3.27(brm,7α-H AND 12α-H),3.86(m,3β-H)(116) 13C-NMR(CDCl3)Me ESTER C1 31.5,C2 28.1,C3 64.4,C4 34.8,C5 35.5,C6 38.0,C7 73.4,C8 41.2,C9 50.5,C10 34.5,C11 28.6,C12 78.4,C13 4" "007/116/" "bileaciPage45.html" "BA0046" 5.00 "3β,7α,12β-TRIHYDROXY-5α-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " HO Hイアイ" " メト モH オ" " アイォイ COOH" " オカスコ" " アイォイアナ" " オ オ オ H" " ユハアハアラ" " OH H H H OH" "242〜243゚C,110〜111゚C(Me ESTER)(116)" "116/" "cm-1(KBr) 1675(C=0) 3200,1010(OH) (116)" "1H-NMR(CDCl3+20%DMSO-d6)0.68(s,18-CH3),0.78(s,19-CH3),1.01(d,J=6.3Hz,21-CH3),3.36(brm,3α-H AND 12α-H),3.73(m,7β-H)(116) 13C-NMR(CDCl3)Me ESTER C1 36.6,C2 31.0,C3 70.3,C4 37.3,C5 36.9,C6 36.4,C7 66.8,C8 38.0,C9 44.4,C10 35.2,C11 29.3,C12 78.4,C13 47.3" "007/116/" "bileaciPage46.html" "BA0047" 5.00 "3β,7β,12α-TRIHYDROXY-5α-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " H HOイアイ" " メト モH オ" " アイォイ COOH" " オカスコ" " アイォイアナ" " オ オ オ H" " ユハアハアラ" " OH H H OH H" "252〜254゚C,149〜151゚C(Me ESTER)(116)" "116/" "cm-1(KBr) 1680(C=0) 3440,1027(OH) (116)" "1H-NMR(CDCl3+20%DMSO-d6)0.67(s,18-CH3),0.79(s,19-CH3),0.98(d,J=5.4Hz,21-CH3),3.34(brm,3α-H AND 7α-H),3.87(m,12β-H)(116) 13C-NMR(CDCl3)Me ESTER C1 36.7,C2 31.3,C3 70.9,C4 37.7,C5 42.1,C6 38.3,C7 74.8,C8 43.5,C9 45.1,C10 34.5,C11 29.0,C12 72.4,C13 47.4" "Me-TMS 458,368,343,253 (021)" "007/021/116/" "肝胆道疾患患者の尿(021)" "021/" "bileaciPage47.html" "BA0048" 5.00 "3β,7β,12β-TRIHYDROXY-5α-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " HO Hイアイ" " メト モH オ" " アイォイ COOH" " オカスコ" " アイォイアナ" " オ オ オ H" " ユハアハアラ" " OH H H OH H" "227〜228゚C,165〜166゚C(Me ESTER)(116)" "116/" "cm-1(KBr) 1673(C=0) 3450,1035,1003(OH) (116)" "1H-NMR(CDCl3+50%DMSO-d6) 0.65(s,18-CH3),0.77(s,19-CH3),0.96(d,J=6.3Hz,21- CH3),3.31(brm,3α-H,7α-H AND 12α-H)(116) 13C-NMR(CDCl3)Me ESTER C1 36.4,C2 30.9,C3 70.5,C4 37.1,C5 41.4,C6 37.8,C7 74.3,C8 41.6,C9 50.7,C10 34.4,C11 28.7,C12 78.9,C13 48.1,C14" "007/116/" "bileaciPage48.html" "BA0049" 5.00 "3β,6α,7α-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " イアイ" " モH オ" " アイォイ COOH" " オカスコ" " アイォイアナ" " オカ カ H" " ユハアレアラ" " HO H H ラH OH" " H OH" "214〜217゚C(096)" "096/" "cm-1(KBr) 1708(C=0) 3440,1048(OH) (096)" "1H-NMR(CDCl3+10%DMSO-d6) 0.66(s,18-CH3),0.92(d,J=5.4Hz,21-CH3),0.94(s,19- CH3)3.84(m,7β-H),3.90(brm,6β-H),4.08(m,3α-H) 13C-NMR(CDCl3)Me ESTER C130.0,C2 27.4,C3 66.0,C4 29.3,C5 42.4,C6 71.8,C7 69.5,C8 38.4,C9 32.0,C1036.4,C11 20.9,C12 39.4,C13 42.7," "Me ESTER m/z(RELATIVE INTENSITY) 422(7%,M+),404(34%,M-H2O),386(57%, M-2H2O),371(11%,M-2H20-Me) (096)" "096/" "bileaciPage49.html" "BA0050" 5.00 "3β,6α,7β-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " イアイ" " モH オ" " アイォイ COOH" " オカスコ" " アイォイアナ" " オカ カ H" " ユハアレアラ" " HO H H ラOH H" " H OH" "129〜131゚C(096)" "096/" "cm-1(KBr) 1710(C=0) 3410,1025(OH) (096)" "1H-NMR(CDCl3+10%DMSO-d6)0.66(s,18-CH3),0.92(d,J=5.4Hz,21-CH3),0.95(s,19-CH3)3.33(brm,7α-H),3.74(brm,6β-H),4.00(m,3α-H) 13C-NMR(CDCl3)Me ESTER C1 29.9,C2 27.3,C3 65.6,C4 27.8,C5 42.3,C6 73.0,C7 75.6,C8 41.6,C9 38.9,C10 35.8,C11 21.5,C12 40.1,C13 43.8" "Me ESTER m/z(RELATIVE INTENSITY) 422(8%,M+),404(60%,M-H2O),386(73%, M-2H2O),371(13%,M-2H20-Me),368(16%,M-3H2O) (096)" "096/" "bileaciPage50.html" "BA0051" 5.00 "3β,6β,7α-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " イアイ" " モH オ" " アイォイ COOH" " オカスコ" " アイォイアナ" " オカ カ H" " ユハアレアラ" " HO H H ラH OH" " OH H" "214〜216゚C(096)" "096/" "cm-1(KBr) 1720(C=0) 3420,1038,1020(OH) (096)" "1H-NMR(CDCl3+10%DMSO-d6)0.69(s,18-CH3),0.94(d,J=5.4Hz,21-CH3),1.11(s,19-CH3)3.66(m,6α-H AND 7β-H),4.02(m,3α-H) 13C-NMR(CDCl3) Me ESTER C1 30.6, C2 27.7,C3 66.3,C4 33.2,C5 42.8,C6 76.6,C7 73.0,C8 35.2,C9 33.0,C10 35.2,C11 20.8,C12 39.5,C13 42.6,C14" "Me ESTER m/z(RELATIVE INTENSITY) 422(3%,M+),404(84%,M-H2O),386(24%, M-2H2O),371(7%,M-2H20-Me) (096)" "096/" "bileaciPage51.html" "BA0052" 5.00 "3β,6β,7β-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " イアイ" " モH オ" " アイォイ COOH" " オカスコ" " アイォイアナ" " オカ カ H" " ユハアレアラ" " HO H H ラOH H" " OH H" "165〜167゚C,RESOLIDIFIED AT ABOUT 170゚C, AND THEN REME" "LTED AT 189〜190゚C (096)" "096/" "cm-1(KBr) 1713(C=0) 3425,1038(OH) (096)" "1H-NMR(CDCl3+10%DMSO-d6)0.69(s,18-CH3),0.94(d,J=6.3Hz,21-CH3),1.12(s,19-CH3)3.43(brm,7α-H),3.61(m,6α-H),4.03(m,3α-H) 13C-NMR(CDCl3)Me ESTER C1 30.1, C2 27.4,C3 65.7,C4 32.5,C5 42.4,C6 75.0,C7 73.4,C8 38.5,C9 39.2,C10 34.2,C11 21.0,C12 39.9,C13 43.5,C1" "Me ESTER m/z(RELATIVE INTENSITY) 422(6%,M+),404(86%,M-H2O),386(40%, M-2H2O),371(9%,M-2H20-Me)(096)" "096/" "bileaciPage52.html" "BA0053" 5.00 "3α,6β,7α,12α-TETRAHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 6.00 0.00 0.00 0.00 424 " H HOイアイ" " メト モH オ" " アイォイ COOH" " オカスコ" " アイォイアナ" " オカ カ H" " ユハアレアラ" " H OH H ラH OH" " OH H" "165〜167゚C(133)" "[α]26/D=+36.3゚(IN MeOH)" "133/" "1H-NMR(PYRIDINE-d5) 1.52(s,19-CH3),4.30(bs,7β-H) (133)" "Me-TMS: 711(M+-15),636(M+-90),546(M+-90X2),456(M+-90X3),366(M+-90X4), 341,255(M+-90X3-115) (133)" "133/" "ヒト胎便(TRACE)(133)" "133/" "bileaciPage53.html" "BA0054" 5.00 "3α,6β,7β,12α-TETRAHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O6" 24.00 40.00 6.00 0.00 0.00 0.00 424 " H HOイアイ" " メト モH オ" " アイォイ COOH" " オカスコ" " アイォイアナ" " オカ カ H" " ユハアレアラ" " H OH H ラOH H" " OH H" "240〜242゚C(133)" "[α]26/D=+68.5゚( IN MeOH)(133)" "133/" "1H-NMR(PYRIDINE-d5) 1.45(s,19-CH3),3.85(dd,J=3 AND 11Hz,7α-H) (133)" "Me-TMS 711(M+-15),636(M+-90),546(M+-90X2),456(M+-90X3),367(M+-90X3-89), 285,195 (133)" "133/" "bileaciPage54.html" "BA0055" 5.00 "1β,3α-DIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " イアイ" " モH オ" " HO H アイォイ COOH" " メト オカスコ" " アイォイアナ" " オカ カ H" " ユハアレア" " H OH H" "274〜278゚C(128)" "128/" "cm-1(NUJOL) 1705(C=0),3400,3300(OH) (128)" "1H-NMR(PYRIDINE-d6) 0.62(s,18-CH3),1.28(s,19-CH3),4.12〜4.28(m,1α-H), 4.61〜4.99(m,3β-H) (128)" "Me-TMS 535(M-15),460,370,318,255,217(BASE PEAK)(128)" "128/" "bileaciPage55.html" "BA0056" 5.00 "1β,3α,7α-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " イアイ" " モH オ" " HO H アイォイ COOH" " メト オカスコ" " アイォイアナ" " オカ カ H" " ユハアレアラ" " H OH H H OH" "266〜270゚C(128)" "128/" "cm-1(NUJOL) 1705(C=0),3380,3280(OH) (128)" "1H-NMR(PYRIDINE-d5) 0.69(s,18-CH3),1.30(s,19-CH3),3.92〜4.10(m,7β-H), 4.12〜4.28(m,1α-H),4.40〜4.78(m,3β-H) (128)" "Me-TMS 623(M-15),548,458,368,316,253,217(BASE PEAK)(128)" "128/" "ヒト胎便(128)" "128/" "bileaciPage56.html" "BA0057" 5.00 "1β,3α,12α-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " H HOイアイ" " メト モH オ" " HO H アイォイ COOH" " メト オカスコ" " アイォイアナ" " オカ カ H" " ユハアレア" " H OH H" "262〜264゚C(128)" "128/" "cm-1(NUJOL) 1705(C=0),3400,3300(OH) (128)" "1H-NMR(PYRIDINE-d5) 0.75(s,18-CH3),1.34(s,19-CH3),4.10〜4.36(m,1αーH AND 12β-H),4.58〜4.96(m,3β-H) (128)" "Me-TMS 623(M-15),548,458,368,316,253,217(BASE PEAK)(128)" "128/" "ヒト健常者の尿(136),腎疾患患者の尿(136)" "136/" "bileaciPage57.html" "BA0058" 5.00 "3α,4β,7α-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " イアイ" " モH オ" " アイォイ COOH" " オカスコ" " アイォイアナ" " オカ カ H" " ユハアレアラ" " H HO ラH H OH" " HO H" "128〜130゚C(Me ESTER)(141)" "141/" "1H-NMR(CDCl3) Me ESTER 0.66(s,18-CH3),0.92(d,J=4.5Hz,21-CH3),0.94(s,19-CH3),3.26(brm,3β-H),3.66(s,COOCH3),3.88(m,7β-H),4.15(dd,J 1.2=10.8Hz,J2,4= 9.0Hz,4αーH) (141)""" "Me-TMS 548(M-90),533,458,443,403,369,329,281,253,181(BASE PEAK)(141)" "141/" "ヒト胎児の胆汁(141/142)" "141/142/" "bileaciPage58.html" "BA0059" 5.00 "3α-HYDROXY-5β-CHOL-6-EN-24-OIC ACID" "C24H38O3" 24.00 38.00 3.00 0.00 0.00 0.00 374 " イアイ" " モH オ" " アイォイ COOH" " オカスコ" " アイォイアナ" " オカ カ H" " ユハアレキ" " H HO H" "218〜219゚C,104〜105゚C(Me ESTER)(096)" "096/" "cm-1 1708(C=0),3330,1062(OH) (096)" "1H-NMR(CDCl3+10%DMSO-d6) 0.69(s,18-CH3),0.84(s,19-CH3),0.93(d,J=5.4Hz,21- CH3),3.52(brm,3β-H),5.46(s,6H AND 7H) (096)" "096/" "bileaciPage59.html" "BA0060" 5.00 "3β-HYDROXY-5β-CHOL-6-EN-24-OIC ACID" "C24H38O3" 24.00 38.00 3.00 0.00 0.00 0.00 374 " イアイ" " モH オ" " アイォイ COOH" " オカスコ" " アイォイアナ" " オカ カ H" " ユハアレキ" " HO H H" "119〜120゚C(Me ESTER)(096)" "096/" "cm-1 (Me ESTER) 1740(C=0),3280,1042(OH) (096)" "1H-NMR(CDCl3) Me ESTER 0.70(s,18-CH3),0.89(s,19-CH3),0.93(d,J=6.3Hz,21-CH3),3.66(s,COOMe),4.06(m,3α-H),5.47(s,6H AND 7H)" "096/" "bileaciPage60.html" "BA0061" 5.00 "3α,6α-DIHYDROXY-7-OXO-5β-CHOLAN-24-OIC ACID" "C24H38O5" 24.00 38.00 5.00 0.00 0.00 0.00 406 " イアイ" " モH オ" " アイォイ COOH" " オカスコ" " アイォイアナ" " オカ カ H" " ユハアレアク" " H HO H ラ O" " H OH" "184〜186゚C(096)" "[α]25/D=-42゚(IN MeOH)(031)" "096/031/" "cm-1 1718(C=O),3400,1055,1018(OH) (096)" "1H-NMR(CDCl3) 0.66(s,18-CH3),0.94(d,J=6.3Hz,21CH3),1.23(s,19-CH3), 3.55(brm,3β-H),4.52(d,J=6.3Hz,6β-H) (096)" "096/" "bileaciPage61.html" "BA0062" 5.00 "3α,6α,12α-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " (REF: )" " H HO\/\" " メトカトH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " オ オ オ H" " ユハ/レ/" " H OH H ラ" " H OH" "135-137゚C(143)" "[α]23/D : +20.3゚(IN DIOXANE) (144/145)" "143/144/145/" "3401,1037cm-1(OH), 1709cm-1(C=O) (143)" "1H-NMR(CDCl3): 0.67(s,18-Me),089(s,19-Me),0.99(d,J=5.4Hz,21-Me),3.58(brm, 3β-H),4.03(m AND brm,6β- AND 12β-H)(143) 13C-NMR(CDCl3)Me ESTER: C1 35.66,C2 30.08,C3 71.53,C4 29.18,C5 48.53,C6 68.08,C7 34.81,C8 35.10,C9 32.97,C10 35.60,C11 28.62,C12 7 C20 35.27,C21 17.32,C22 31.18,C23 30.96,C24 174.85,CCOOMe 51.59(143)" "Me ESTER M/Z(RELATIVE INTENSITY,%) 404(7%),386(81%),368(23%),289(20%), 271(100%),253(67%) (143)" "143/" "妊婦および 肝障害妊婦の尿中(066/146) 正常人尿中のグルクロン酸抱合画分(147)" "066/146/147/" "bileaciPage62.html" "BA0063" 5.00 "3α,6β,12α-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " (REF: )" " H HO\/\" " メトカトH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " オ オ オ H" " ユハ/レ/" " H HO H ラ" " HO H" "137-139゚C(039/143)" "[α]26/D : +36゚(95%EtOH) (039)" "039/143/" "3401,1045cm-1(OH), 1711cm-1(C=O) (143)" "1H-NMR(CDCl3): 0.71(s,18-Me),098(d,J=6.3Hz,21-Me),1.09(s,19-Me),3.62(brm, 3β-H),3.74(m,6α-H),3.98(m,12β-H)(143) 13C-NMR(CDCl3)Me ESTER: C1 35.76,C2 30.12,C3 71.30,C4 36.44,C5 48.68,C6 73.13,C7 34.45,C8 30.96,C9 34.06,C10 33.97,C11 28.51,C12 73.1C20 35.16,C21 17.43,C22 31.17,C23 30.96,C24 174.78,CCOOMe 51.59(143)" "ME ESTER M/Z(RELATIVE INTENSITY,%) 404(4%),386(28%),368(12%),289(19%), 271(100%),253(34%) (143)" "143/" "正常人の尿中(021)肝障害患者の尿中(021/037) 妊婦の尿中(066/146)肝内胆汁うっ滞患者の尿(148)" "021/037/066/146/148/" "bileaciPage63.html" "BA0064" 5.00 "3β,6α,12α-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " (REF: )" " H HO\/\" " メトカトH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " オ オ オ H" " ユハ/レ/" " HO H H ラ" " H OH" "135-137゚C,115-117゚C (143)" "143/" "3412,1036,976cm-1(OH), 1709cm-1(C=O) (143)" "1H-NMR(CDCl3+20%DMSO-d6): 0.67(s,18-Me),0.92(s,19-Me),0.96(d,J=7.2Hz,21-Me)3.96(m,12β-H),4.00(brm,6β-H),4.08(m,3α-H)(143) C20 35.13,C21 17.40, C22 31.12,C23 30.93,C24 174.78,CCOOMe 51.59(143) 13C-NMR Me ESTER: C1 30.08,C2 27.43,C3 66.09,C4 26.25,C5 43.05,C6 67.85, C7 34.37,C8 34.93,C9 32.33,C10 36.05,C11 28.93,C12" "Me ESTER M/Z(RELATIVE INTENSITY,%) 404(6%),386(42%),289(79%),271(100%), 253(39%) (143)" "143/" "bileaciPage64.html" "BA0065" 5.00 "3β,6β,12α-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " (REF: )" " H HO\/\" " メトカトH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " オ オ オ H" " ユハ/レ/" " HO H H ラ" " HO H" "131-133゚C,196-197゚C (Me ESTER)(143)" "143/" "3408,1023cm-1(OH), 1709cm-1(C=O) (143)" "1H-NMR(CDCl3+20%DMSO-d6): 0.70(s,18-Me),0.98(d,J=5.4Hz,21-Me),1.11(s,19-Me)3.66(m,6α-H),3.99(m,3α- AND 12β-H)(143) 13C-NMR Me ESTER: C1 29.43,C2 26.50,C3 64.44,C4 32.24,C5 42.23,C6 71.38, C7 33.42,C8 29.91,C9 32.86,C10 33.48,C11 28.04,C12 71.58, C20 34.37,C21 16.36,C22 30.09,C23 29.91,C24 173.65,CCOOMe 50.49(143)" "Me ESTER M/Z(RELATIVE INTENSITY,%) 404(2%),386(18%),289(14%),271(100%), 253(19%) (143)" "143/" "bileaciPage65.html" "BA0066" 5.00 "3α,6α,7β,12α-TETRAHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O6" 24.00 40.00 6.00 0.00 0.00 0.00 424 " (REF: )" " H HO\/\" " メトカトH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " オ オカ H" " ユハ/レ/ラH" " H OH H ラOH" " H OH" "148-151゚C,100-102゚C (Me ESTER)(149)" "149/" "3421,1040,952cm-1(OH), 1708cm-1(C=O) (149)" "1H-NMR(CDCl3+20%DMSO-d6): 0.65(s,18-Me),0.90(s,19-Me),0.98(d,J=5.4Hz,21-Me)3.34(brm,3β- AND 7α-H),3.60(brm,6β-H),3.87(m,12β-H)(149) 13C-NMR Me ESTER: C1 35.1,C2 30.9,C3 71.1,C4 29.9,C5 47.7,C6 73.1,C7 75.2,C8 41.8,C9 32.1,C10 34.8,C11 27.8,C12 C23 31.0,C24 174.7,CCOOMe 51.4(149)" "Me ESTER M/Z(RELATIVE INTENSITY,%) 402(24%),384(26%),366(6%),305(69%), 287(35%),269(82%),251(22%) (149)" "149/" "bileaciPage66.html" "BA0067" 5.00 "3α,6α,7β,12α-TETRAHYDROXY-5α-CHOLAN-24-OIC ACID" "C24H40O6" 24.00 40.00 6.00 0.00 0.00 0.00 424 " (REF: )" " H HO\/\" " メトカトH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " オ オカ H" " ユハ/ハ/ラH" " H OH H ラOH" " H OH" "149-152゚C,181-182゚C (Me ESTER)(149)" "149/" "3418,1012cm-1(OH), 1711cm-1(C=O) (149)" "1H-NMR(CDCl3+20%DMSO-d6): 0.68(s,18-Me),0.79(s,19-Me),0.99(d,J=5.4Hz,21-Me)3.45(brm,7α-H),3.66(brm,6β-H),3.91(m,12β-H),4.03(m,3β-H)(149) 13C-NMR Me ESTER: 12.2(C-18),12.7(C-19),65.6(C-3),72.3(C-12),75.2(C-7),80.5(C-6)(149)""" "Me ESTER M/Z(RELATIVE INTENSITY,%) 438[M+](1%),420(2%),402(21%),384(12%), 305(100%),287(39%),269(61%),251(17%) (149)" "149/" "bileaciPage67.html" "BA0068" 5.00 "3α,12α-DIHYDROXY-5β-CHOL-6-EN-24-OIC ACID" "C24H38O4" 24.00 38.00 4.00 0.00 0.00 0.00 390 " (REF: )" " H HO\/\" " メトカトH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " オ オカ H" " ユハ/レキ" " H OH H" "160-162゚C(149)" "[α]21/D : 36±2゚(DIOXANE)(150)" "149/150/" "3392cm-1(OH), 1695cm-1(C=O) (149)" "1H-NMR(CDCl3+20%DMSO-d6): 0.69(s,18-Me),0.81(s,19-Me),1.00(d,J=5.4Hz,21-Me)3.39(brm,3β-H),3.95(m,12β-H),5.45(s,6- AND 7-H)(149)""" "149/" "bileaciPage68.html" "BA0069" 5.00 "3α,4β-DIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " (REF: )" " \/\" " カトH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " オ オカ H" " Hユハ/レ/" " HOユツH" " HO H" "156-168゚C,174-175゚C(Me ESTER)(151)" "151/" "3456,1019cm-1(OH), 1703cm-1(C=O) (151)" "1H-NMR(CDCl3): 0.65(s,18-Me),0.93(d,J=6.3Hz,21-Me),0.96(s,19-Me),3.41(brm,3β-H),3.68(brm,4α-H)(151) 42.7,C14 56.5,C15 24.1,C16 28.1,C17 56.0,C18 12.0,C19 23.5,C20 35.3,C21 18.2,C22 31.0,C23 31.0,C24 174.6,CCOOMe 51.3(151) C23 31.0,C24 174.6,CCOOMe 51.3(151)" "Me ESTER M/Z(RELATIVE INTENSITY,%) 406[M+](6%),388(100%),370(23%), 264(18%),249(21%) (151)" "151/" "新生児の胎便および糞便(141/152)" "141/152/" "bileaciPage69.html" "BA0070" 5.00 "3β,4β-DIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " (REF: )" " \/\" " カトH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " オ オカ H" " ユハ/レ/" " HO HユツH" " HO H" "189-191゚C(151),191-192゚C,128-129゚C(Me ESTER)(153)" "151/153/" "3412,1028cm-1(OH), 1708cm-1(C=O) (151)" "1H-NMR(CDCl3+20%DMSO-d6): 0.65(s,18-Me),0.92(d,J=6.3Hz,21-Me),0.96(s,19-Me)3.71(brm,4α-H),3.93(m,3α-H)(151) 13C-NMR Me ESTER: C1 29.2,C2 25.8,C3 68.4,C4 69.5,C5 44.0,C6 21.1,C7 26.0, C8 35.5,C9 41.6,C10 36.6,C11 20.7,C12 40.1,C13 42.6,C14 56. C23 31.0,C24 174.6,CCOOMe 51.4(151)" "Me ESTER M/Z(RELATIVE INTENSITY,%) 406[M+](76%),388(100%),370(26%), 264(60%),249(33%)(151)" "151/" "bileaciPage70.html" "BA0071" 5.00 "3β,4β,7α-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " (REF: )" " \/\" " カトH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " オ オカ H" " ユハ/レ/ラ" " HO HユツH H OH" " HO H" "212-214゚C, 203-205゚C(Me ESTER)(151)" "151/" "3372cm-1(OH), 1712cm-1(C=O) (151)" "1H-NMR(CDCl3+20%DMSO-d6): 0.65(s,18-Me),0.92(d,J=5.4Hz,21-Me),0.94(s,19-Me)3.87(m,3α- AND 7β-H),4.33(brm,4α-H)(151) 13C-NMR Me ESTER: C1 29.2,C2 25.9,C3 69.5,C4 71.4,C5 42.9,C6 28.0,C7 68.6, C8 39.3,C9 34.0,C10 36.9,C11 20.9,C12 39.6,C13 42.7, C23 31.0, C24 174.6,CCOOMe 51.3(151)" "Me ESTER M/Z(RELATIVE INTENSITY,%) 404(100%),386(39%),289(19%),271(11%), 253(5%)(151)" "151/" "bileaciPage71.html" "BA0072" 5.00 "3α,4β,12α-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " (REF: )" " H HO\/\" " メトカトH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " オ オカ H" " Hユハ/レ/" " HOユツH" " HO H" "151-152゚C(151)" "151/" "3402,1036cm-1(OH), 1706cm-1(C=O) (151)" "1H-NMR(CDCl3+20%DMSO-d6): 0.67(s,18-Me),0.93(s,19-Me),0.97(d,J=6.3Hz,21-Me)3.30(brm,3β-H),3.75(brm,4α-H),3.92(m,12β-H)(151) 13C-NMR Me ESTER: C1 34.6,C2 27.4,C3 76.7,C4 72.5,C5 48.5,C6 20.8,C7 25.8 C8 35.9,C9 35.4,C10 36.4,C11 C23 30.9,C24 174.6,CCOOMe 51.4(151)" "Me ESTER M/Z(RELATIVE INTENSITY,%) 404(9%),386(9%),368(5%),289(100%), 271(23%),253(14%)(151)" "151/" "bileaciPage72.html" "BA0073" 5.00 "3β,4β,12α-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " (REF: )" " H HO\/\" " メトカトH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " オ オカ H" " HOユハ/レ/" " HユツH" " HO H" "202-203゚C, 189-190゚C(Me ESTER)(151)" "151/" "3412,1029cm-1(OH), 1705cm-1(C=O) (151)" "1H-NMR(CDCl3+20%DMSO-d6): 0.66(s,18-Me),0.93(s,19-Me),0.97(d,J=6.3Hz,21-Me)3.76(brm,4α-H),3.90(m,3α- AND 12β-H)(151) 13C-NMR Me ESTER: C1 29.1,C2 25.7,C3 68.3,C4 69.5,C5 43.9,C6 20.6,C7 25.7, C8 35.7,C9 34.9,C10 36.1,C11 28.9,C12 73.1,C13 46.4,C14 C23 30.9,C24 174.6,CCOOMe 51.4(151)" "Me ESTER M/Z(RELATIVE INTENSITY,%) 404(4%),289(100%),271(23%),253(13%) (151)" "151/" "bileaciPage73.html" "BA0074" 5.00 "3α,4β,7α,12α-TETRAHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O6" 24.00 40.00 6.00 0.00 0.00 0.00 424 " (REF: )" " H HO\/\" " メトカトH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " オ オカ H" " Hユハ/レ/ラ" " HOユツH H OH" " HO H" "150-152゚C, 146-148゚C(Me ESTER)(141)" "141/" "3396,1028cm-1(OH), 1703cm-1(C=O) (151)" "1H-NMR(CDCl3+20%DMSO-d6): 0.66(s,18-Me),0.91(s,19-Me),0.99(d,J=6.3Hz,21-Me)3.20(brm,3β-H),3.85(m,7β- AND 12β-H),4.13(brm,4α-H)(151) 13C-NMR Me ESTER: C1 34.6,C2 28.1,C3 76.0,C4 75.3,C5 47.9,C6 27.5,C7 68.5, C8 39.2,C9 28.1,C10 36.8,C11 28.1,C12 C23 31.0,C24 174.7,CCOOMe 51.4(151)" "Me ESTER M/Z(RELATIVE INTENSITY,%) 420(4%),402(21%),384(25%),287(35%), 269(100%)(151)" "151/" "ヒト胎児の胆汁(141/154) 新生児の糞便(141) ヒト胎児の羊水(155)" "141/154/155/" "bileaciPage74.html" "BA0075" 5.00 "3β,4β,7α,12α-TETRAHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O6" 24.00 40.00 6.00 0.00 0.00 0.00 424 " (REF: )" " H HO\/\" " メトカトH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " オ オカ H" " ユハ/レ/ラ" " HO HユツH H OH" " HO H" "148-149゚C, 216-218゚C(Me ESTER)(151)" "151/" "3385,1023cm-1(OH), 1708cm-1(C=O) (151)" "1H-NMR(CDCl3+20%DMSO-d6): 0.68(s,18-Me),0.94(s,19-Me),0.98(d,J=6.3Hz,21-Me)3.93(m,3α-,7β-, AND 12β-H),4.36(brm,4α-H)(151) 13C-NMR Me ESTER: C1 29.2,C2 25.6,C3 69.7,C4 71.1,C5 42.7,C6 28.6,C7 68.9, C8 39.4,C9 27.4,C10 36.6,C11 28.0,C12 73.1,C13 4 C23 30.9,C24 174.7,CCOOMe 51.4(151)" "Me ESTER M/Z(RELATIVE INTENSITY,%) 420(29%),402(65%),384(24%),287(100%), 269(44%)(151)" "151/" "bileaciPage75.html" "BA0076" 5.00 "3β,7β-DIHYDROXY-CHOL-5-EN-24-OIC ACID" "C24H38O4" 24.00 38.00 4.00 0.00 0.00 0.00 390 " (REF: )" " \/\" " カトH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " オ オカ H" " ユハ/ク/ラ" " HO H HO H" "237゚C(075), 223-225゚C(071), 124-125゚C(Me ESTER)(075/071)" "[α]20/D : +10.4゚(DIOXANE)(071)" "075/071/" "(NUJOL) 3470,3200cm-1(OH), 1725,1700cm-1(COOH) (075)" "1H-NMR(PYRIDINE-d5) : 0.70(s,18-Me), 0.95(s,19-Me), 3.67(m,3α-H), 3.92(d,J=9Hz,7α-H), 5.48(bs,6-H) (075)" "Me-TMS M/Z(RELATIVE INTENSITY,%) 458(100%),368(2%),253(0%)(075)" "075/" "肝障害患者の尿(156)" "156/" "bileaciPage76.html" "BA0077" 5.00 "1α,3α,7α-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "VULPECHOLIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " (REF: )" " \/\" " カトH オ" " H OH/\ヌ\ COOH" " メト オカスコ" " /\ヌ\/ナ" " オ オカ H" " ユハ/レ/ラ" " H OH H H OH" "150-152゚C(157)" "157/" "1H-NMR Me ESTER(CDCl3): 0.76(s,18-Me),0.90(bd,21-Me),1.11(s,19-Me),2.5-3.5 (br),3.30(bd),3.68(s,COOMe),3.85(bs)(157) 13C-NMR (MeOH-d4): C1 79.9,C2 40.2,C3 68.7,C4 39.8,C5 41.4,C6 35.2,C7 70.2, C8 41.1,C9 34.9,C10 41.1,C11 24.1,C12 41.2,C13 43.2,C1 C23 32.4,C24 178.9(157)" "FREE ACID M/Z(RELATIVE INTENSITY,%) 390(88%),372(100%),357(14%),354(10%), 302(72%),262(18%),244(24%)(157)" "157/" "袋ネズミの胆汁(157/158)" "157/158/" "bileaciPage77.html" "BA0078" 5.00 "1α,3α-DIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " (REF: )" " \/\" " カトH オ" " H OH/\ヌ\ COOH" " メト オカスコ" " /\ヌ\/ナ" " オ オカ H" " ユハ/レ/" " H OH H" "148-150゚C(Me ESTER)(159)" "[α] /D : 21゚(CHCl3) (Me ESTER)(159)" "159/" "Me ESTER 3500cm-1(OH), 1730cm-1(C=O)" "1H-NMR Me ESTER : 3.15(d,3β-H),3.30(d,1β-H),3.60(s,Ome)(159)" "Me-TMS M/Z 217,142,143(1,3-DIHYDROXY-5β-CHOLAN-24-OATE)(159)" "159/" "bileaciPage78.html" "BA0079" 5.00 "3α,6α-DIHYDROXY-6β-METHYL-5β-CHOLAN-24-OIC ACID" "6β-METHYL-HYODEOXYCHOLIC ACID" "6β-Me-HDCA" "C25H42O4" 25.00 42.00 4.00 0.00 0.00 0.00 406 " (REF: )" " \/\" " カトH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " オ オカ H" " ユハ/レ/ラ" " H OH H OH" "186.5-188.0゚C(160)" "160/" "1H-NMR(PYRIDINE-d5) :0.65(s,18-Me), 0.93(d,J=6Hz,21-Me), 1.02(s,19-Me), 1.65(s,6β-Me), 3.70-4.10(m,3β-H) (160)" "Me-TMS M/Z(RELATIVE INTENSITY,%) 564(13%),549(2%),384(3%),337(100%) (160)" "HPLC: MORE HYDROPHILIC THEM THE CORRESPONDING COMPOUND WITHOUT A 6-METHYL GROUP(160)" "160/" "動物モデルにおける胆石溶解剤" "bileaciPage79.html" "BA0080" 5.00 "3α,6β-DIHYDROXY-6α-METHYL-5β-CHOLAN-24-OIC ACID" "6α-METHYL MURIDEOXYCHOLIC ACID" "6α-Me-MDCA" "C25H42O4" 25.00 42.00 4.00 0.00 0.00 0.00 406 " (REF: )" " \/\" " カトH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " オ オカ H" " ユハ/レ/ラ" " H OH H HO" "1H-NMR(PYRICINE-d5): 0.64(s,18-Me),0.92(d,J=6Hz,21-Me),1.32(s,19-Me),1.42(s,6α-Me),3.50-3.98(m,3β-H)(160)" "Me-TMS M/Z(RELATIVE INTENSITY,%) 564(19%),549(6%),459(4%),384(5%),369(2%), 353(2%),337(100%)(160)" "HPLC: MORE HYDROPHILIC THEM THE CORRESPONDING COMPOUND WITHOUT A 6-METYL GROUP(160)" "160/" "bileaciPage80.html" "BA0081" 5.00 "3α,7β-DIHYDROXY-7α-METHYL-5β-CHOLAN-24-OIC ACID" "7α-METHYL-URSODEOXYCHOLIC ACID" "7α-Me-UDCA" "C25H42O4" 25.00 42.00 4.00 0.00 0.00 0.00 406 " (REF: )" " \/\" " カトH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " オ オカ H" " ユハ/レ/ラ" " H OH H HO" "102.5-105゚C(161)" "161/" "1H-NMR : 0.77(s,18-Me), 1.06(d,J=6Hz,21-Me), 1.09(s,19-Me), 1.40(s,7α-Me), 3.62(m,3β-H)(161)" "Me-TMS M/Z(RELATIVE INTENSITY,%) 564[M+](8%),549(7%),474(2%),459(2%), 384(4%),257(100%)(161)" "161/" "bileaciPage81.html" "BA0082" 5.00 "3α,7α-DIHYDROXY-7β-METHYL-5β-CHOLAN-24-OIC ACID" "7β-METHYL-CHENODEOXYCHOLIC ACID" "7β-Me-CDCA" "C25H42O4" 25.00 42.00 4.00 0.00 0.00 0.00 406 " (REF: )" " \/\" " カトH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " オ オカ H" " ユハ/レ/ラ" " H OH H OH" "95-98゚C(161)" "161" "1H-NMR : 0.79(s,18-Me), 0.97(s,19-Me), 1.05(d,J=6Hz,21-Me), 1.32(s,7β-Me), 3.56(m,3β-H)(161)" "Me-TMS M/Z(RELATIVE INTENSITY,%) 564[M+](8%), 549(13%), 474(3%), 459(5%), 384(12%), 257(100%)(161)" "161/" "bileaciPage82.html" "BA0083" 5.00 "3α-HYDROXY-7-METHYL-5β-CHOL-6-EN-24-OIC ACID" "7-METHYL-△6-LITHOCHOLIC ACID" "7-Me-△6-LCA" "C25H40O3" 25.00 40.00 3.00 0.00 0.00 0.00 388 " (REF: )" " \/\" " カトH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " オ オカ H" " ユハ/レキ\" " H OH H" "121-122゚C(161)" "161/" "1H-NMR : 0.82(s,18-Me), 0.89(s,19-Me), 1.06(d,J=6Hz,21-Me), 1.77(s,7-Me), 3.64(m,3β-H), 5.42(d,J=4Hz,6-H)(161)" "Me-TMS M/Z(RELATIVE INTENSITY,%) 474[M+](1%), 459(2%), 384(100%), 369(9%), 269(5%)(161)" "161/" "bileaciPage83.html" "BA0084" 5.00 "3α-HYDROXY-7-METHYLENE-5β-CHOLAN-24-OIC ACID" "7-METHYLENE-LITHOCHOLIC ACID" "7-METHYLENE-LCA" "C25H40O3" 25.00 40.00 3.00 0.00 0.00 0.00 388 " (REF: )" " \/\" " カトH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " オ オカ H" " ユハ/レ/ケ" " H OH H CH2" "104-105゚C(161)" "161/" "1H-NMR : 0.77(s,18-Me), 1.05(d,J=6Hz,21-Me), 1.14(s,19-Me), 3.70(m,3β-H), 4.72 AND 4.76(m,C=CH2)(161)" "Me-TMS M/Z(RELATIVE INTENSITY,%) 474[M+](1%), 459(3%), 384(100%), 369(41%), 269(31%)(161)" "161/" "bileaciPage84.html" "BA0085" 5.00 "3α,7β,12α-TRIHYDROXY-7α-METHYL-5β-CHOLAN-24-OIC ACID" "7α-METHYL-URSOCHOLIC ACID" "7α-Me-UCA" "C25H42O5" 25.00 42.00 5.00 0.00 0.00 0.00 422 " (REF: )" " H HO\/\" " メトカトH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " オ オカ H" " ユハ/レ/ラ" " H OH H HO" "141-142゚C(162)" "162/" "1H-NMR : 0.82(s,18-Me), 1.01(s,19-Me), 1.20(d,J=6Hz,21-Me), 1.46(s,7α-Me), 3.66(m,3β-H), 4.14(m,12β-H)(162)" "Me-TMS M/Z(RELATIVE INTENSITY,%) 652[M+](5%),637(4%),562(2%),547(2%), 492(6%),472(18%),382(7%),357(11%),267(17%),257(100%) (162)" "162/" "腸で効率よく吸収される(163) 7-Me GROUPは腸内細菌の7位の脱水酸化反応に抵抗する(163)" "163/" "bileaciPage85.html" "BA0086" 5.00 "3α,7α,12α-TRIHYDROXY-7β-METHYL-5β-CHOLAN-24-OIC ACID" "7β-METHYL-CHOLIC ACID" "7β-Me-CA" "C25H42O5" 25.00 42.00 5.00 0.00 0.00 0.00 422 " (REF: )" " H HO\/\" " メトカトH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " オ オカ H" " ユハ/レ/ラ" " H OH H OH" "221-223゚C(162)" "162/" "1H-NMR : 0.81(s,18-Me),0.94(s,19-Me),1.21(d,J=6Hz,21-Me),1.37(s,7β-Me), 3.64(m,3β-H),4.09(m,12β-H)(162)" "Me-TMS M/Z(RELATIVE INTENSITY,%) 652[M+](4%),637(7%),562(2%),492(7%), 472(16%),382(9%),367(3%),357(6%),342(4%),267(10%),257(100%)(162)" "162/" "腸で効率よく吸収される(163) 7-Me GROUPは腸内細菌の7位の脱水酸化反応に抵抗する(163)" "163/" "bileaciPage86.html" "BA0087" 5.00 "3α,12α-DIHYDROXY-7-METHYL-5β-CHOL-7-EN-24-OIC ACID" "C25H40O4" 25.00 40.00 4.00 0.00 0.00 0.00 404 " (REF: )" " H HO\/\" " メトカトH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " オ オウ H" " ユハ/レ/\" " H OH H" "160-163゚C(162)" "162/" "1H-NMR : 0.79(s,18-Me),0.86(s,19-Me),1.16(d,J=6Hz,21-Me),1.73(s,7-Me), 3.70(m,3β-H),4.13(m,12β-H)(162)" "Me-TMS M/Z(RELATIVE INTENSITY,%) 547(2%),472(37%)457(5%),441(2%),382(14%), 367(10%),357(41%),267(100%)(162)" "162/" "bileaciPage87.html" "BA0088" 5.00 "3α,12α-DIHYDROXY-7-METHYL-5β-CHOL-6-EN-24-OIC ACID" "C25H40O4" 25.00 40.00 4.00 0.00 0.00 0.00 404 " (REF: )" " H HO\/\" " メトカトH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " オ オカ H" " ユハ/レキ\" " H OH H" "144-148゚C(162)" "162/" "1H-NMR : 0.79(s,18-Me),0.89(s,19-Me),1.22(d,J=6Hz,21-Me),1.69(s,7-Me), 3.70(m,3β-H),4.13(m,12β-H),5.36(m,6-H)(162)" "Me-TMS M/Z(RELATIVE INTENSITY,%) 547(2%),472(23%),457(1%),441(1%),382(23%), 367(15%),357(5%),267(100%)(162)" "162/" "bileaciPage88.html" "BA0089" 5.00 "3α,12α-DIHYDROXY-7-METHYLENE-5β-CHOLAN-24-OIC ACID" "C25H40O4" 25.00 40.00 4.00 0.00 0.00 0.00 404 " (REF: )" " H HO\/\" " メトカトH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " オ オカ H" " ユハ/レ/ケ" " H OH H CH2" "199-202゚C(162)" "162/" "1H-NMR : 0.79(s,18-Me),1.05(s,19-Me),1.20(d,J=6Hz,21-Me),3.75(m,3β-H), 4.16(m,12β-H),4.61 AND 4.74(m,C=CH2)(162)" "Me-TMS M/Z(RELATIVE INTENSITY,%) 547(4%),472(21%),457(2%),441(2%),382(44%), 367(14%),357(12%),267(100%) (162)" "162/" "bileaciPage89.html" "BA0090" 5.00 "3-OXO-CHOL-1,4-DIEN-24-OIC ACID" "C24H34O3" 24.00 34.00 3.00 0.00 0.00 0.00 370 " (REF: )" " \/\" " カトH オ" " /\ヌ\ COOH" " オカスコ" " エ\ヌ\/ナ" " オ オカ H" " エ\キ\/" " O" "224-226゚C(164)" "164/" "λMAX(ε) : 245(15,000) (164)" "M/Z 370[M+], 355, 269, 122(100%) (164)" "164/" "bileaciPage90.html" "BA0091" 5.00 "7α-HYDROXY-3-OXO-CHOL-1,4-DIEN-24-OIC ACID" "C24H34O4" 24.00 34.00 4.00 0.00 0.00 0.00 386 " (REF: )" " \/\" " カトH オ" " /\ヌ\ COOH" " オカスコ" " エ\ヌ\/ナ" " オ オカ H" " エ\キ\/ラ" " O H OH" "235-238゚C(164)" "164/" "λMAX(ε) : 246(14,500) (164)" "M/Z 386[M+], 368, 267, 122(100%)" "164/" "bileaciPage91.html" "BA0092" 5.00 "12α-HYDROXY-3-OXO-CHOL-1,4-DIEN-24-OIC ACID" "C24H34O4" 24.00 34.00 4.00 0.00 0.00 0.00 386 " (REF: )" " H HO\/\" " メトカトH オ" " /\ヌ\ COOH" " オカスコ" " エ\ヌ\/ナ" " オ オカ H" " エ\キ\/" " O" "232-234゚C(164)" "164/" "λMAX(ε) : 244(14,300) (164)" "M/Z 386[M+], 368, 353, 267(100%) (164)" "164/" "bileaciPage92.html" "BA0093" 5.00 "7α,12α-DIHYDROXY-3-OXO-CHOL-1,4-DIEN-24-OIC ACID" "C24H34O5" 24.00 34.00 5.00 0.00 0.00 0.00 402 " (REF: )" " H HO\/\" " メトカトH オ" " /\ヌ\ COOH" " オカスコ" " エ\ヌ\/ナ" " オ オカ H" " エ\キ\/ラ" " O H OH" "237-240゚C(164)" "164/" "λMAX(ε) : 246(15,500) (164)" "M/Z 384, 366, 265(100%) (164)" "164/" "bileaciPage93.html" "BA0094" 5.00 "3α,7α-DIHYDROXY-7β-ETHYL-5β-CHOLAN-24-OIC ACID" "7β-ETHYL-CHENODEOXYCHOLIC ACID" "7β-Et-CDCA" "C26H44O4" 26.00 44.00 4.00 0.00 0.00 0.00 420 " (REF: )" " \/\" " カトH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " オ オカ H" " ユハ/レ/ラOH" " H OH H H5C2" "102-103゚C(165)" "165/" "1H-NMR(PYRIDINE-d5) : 0.74(s,18-Me),0.94(s,19-Me),0.98(t,J=6Hz,-CH2CH3), 0.99(d,J=6Hz,21-Me),3.73(m,3β-H)(165)" "Me-TMS M/Z(RELATIVE INTENSITY,%) 549(1%), 459(23%), 398(36%), 369(21%), 271(100%), 157(86%) (165)" "165/" "bileaciPage94.html" "BA0095" 5.00 "3α,7α-DIHYDROXY-7β-N-PROPYL-5β-CHOLAN-24-OIC ACID" "7β-PROPYL-CHENODEOXYCHOLIC ACID" "7β-Pr-CDCA" "C27H46O4" 27.00 46.00 4.00 0.00 0.00 0.00 434 " (REF: )" " \/\" " カトH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " オ オカ H" " ユハ/レ/ラOH" " H OH H H7C3" "102-103゚C(165)" "165/" "1H-NMR(PYRIDINE-d5) : 0.73(s,18-Me), 0.92(s,19-Me), 0.97(t,J=6Hz, 7β-CH2CH2CH3),1.00(d,J=6Hz,21-Me),3.69(m,3β-H) (165)" "Me-TMS M/Z(RELATIVE INTENSITY,%) 549(24%), 459(79), 412(79%), 369(45%), 285(100%), 171(74%) (165)" "165/" "bileaciPage95.html" "BA0096" 5.00 "(23R)-3α,7α,23-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "PHOCAECHOLIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " R COOH (REF: )" " ナ/\/" " カトH ツ" " /\ヌ\ OH" " オカスコ" " /\ヌ\/ナ" " オ オカ H" " ユハ/レ/ラ" " H OH H H OH" "225゚C, Me ESTER 110゚C(166)" "[α]20/D : +21(EtOH) (166)" "250μM (167)" "166/167/" "1H-NMR(CDCl3+CD3OD) Me ESTER : 0.81(s,18-Me), 0.90(s,19-Me), 1.01(d,J=6Hz, 21-Me),3.38(m,3β-H),3.78(s,CO2Me),3.98(s,3xOH),4.24(m,23-CHOH) (166)""" "CRITTCAL MICELLAR CONCENTRATION: 12μM HYDROPHILICITY(C-18 HPLC) : 0.95 pKa : 3.8 (167)" "166/167/" "アザラシ、セイウチの胆汁(168/169)" "168/169/" "bileaciPage96.html" "BA0097" 5.00 "(23S)-3α,7α,23-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " S COOH (REF: )" " ナ/\/" " カトH ミ" " /\ヌ\ OH" " オカスコ" " /\ヌ\/ナ" " オ オカ H" " ユハ/レ/ラ" " H OH H H OH" "215゚C, 196-197゚C(Me ESTER)(166)" "[α]20/D : +15(EtOH) (166)" "180μM (167)" "166/167/" "1H-NMR(CDCl3+CD3OD) Me ESTER : 0.69(s,18-Me), 0.91(s,19-Me), 1.01(d,J=6Hz, 21-Me),3.38(m,3β-H),3.76(s,CO2Me),4.00(s,3xOH),4.24(m,23-CHOH) (166)""" "CRITTCAL MICELLAR CONCENTRATION: 13μM HYDROPHILICITY(C-18 HPLC) : 0.91 pKa : 3.8 (167)" "166/167/" "bileaciPage97.html" "BA0098" 5.00 "(23S)-3α,12α,23-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " S COOH (REF: )" " H HOナ/\/" " メトカトH ミ" " /\ヌ\ OH" " オカスコ" " /\ヌ\/ナ" " オ オカ H" " ユハ/レ/" " H OH H" "225゚C, 143-144゚C(Me ESTER)(166)" "[α]20/D : +38(EtOH) (166)" "90μM (167)" "166/167/" "1H-NMR(CDCl3+CD3OD) Me ESTER : 0.69(s,18-Me), 0.91(s,19-Me), 1.07(d,J=6Hz, 21-Me), 3.17(m,3xOH AND 3β-H), 3.97(s,CO2Me), 4.01(m,12β-H), 4.24(m, 23-CHOH) (166)""" "CRITTCAL MICELLAR CONCENTRATION: 12μM HYDROPHILICITY(C-18 HPLC) :1.08 pKa : 3.8 (167)" "166/167/" "bileaciPage98.html" "BA0099" 5.00 "(22S,23S)-3α,7β-DIHYDROXY-22,23-METHYLENE-5β-CHOLAN-24-OIC ACID" "C25H40O4" 25.00 40.00 4.00 0.00 0.00 0.00 404 " H (REF: )" " メトツH" " ナ/\ネ" " カトH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " オ オ オ H" " ユハ/レ/ラ" " H OH H HO H" "248-251゚C(170)" "[α]25/D : +56.4(EtOH) (171)" "2.5μM (171)" "170/171/" "(NUJOL) 3380cm-1(OH), 1700cm-1(C=O) (170)" "PMR(CD3OD+CDCl3) : 0.67(s,18-Me), 0.93(s,19-Me), 1.00(d,21-Me),3.30-3.70 (m,CHOH),4.53(s,OH AND CO2H)(170) CMR Me ESTER : C-16 28.9,C-17 57.6,C-20 34.8,C-21 21.3,C-22 17.8,C-23 30.6, C-24 175.8,C CO2Me 16.3 (170) C-24 175.8,C CO2Me 16.3 (170)""" "CRITTCAL MICELLAR CONCENTRATION: 25μM HYDROPHILICITY(C-18 HPLC) : 0.21 pKa : 5.06 (171)" "170/171/" "bileaciPage99.html" "BA0100" 5.00 "(22R,23R)-3α,7β-DIHYDROXY-22,23-METHYLENE-5β-CHOLAN-24-OIC ACID" "C25H40O4" 25.00 40.00 4.00 0.00 0.00 0.00 404 " H (REF: )" " ナ/オH" " ナ/\モ" " カトH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " オ オ オ H" " ユハ/レ/ラ" " H OH H HO H" "252-255゚C(170)" "[α]25/D : +7.5(EtOH) (171)" "6μM (171)" "170/171/" "(NUJOL) 3380cm-1(OH), 1700cm-1(C=O) (170)" "PMR(CDCl3+CDCl3) : 0.70(s,18-Me), 0.97(s,19-Me), 1.07(d,21-Me),3.30-3.67 (m,CHOH), 4.80(s,OH AND CO2H)(170) CMR Me ESTER : C-16 27.7,C-17 C-24 176.1,C CO2Me 12.0 (170)57.7,C-20 31.8,C-21 21.8,C-22 30.5,C-23 29.9, C-24 176.1,C CO2Me 12.0 (170)""" "CRITTCAL MICELLAR CONCENTRATION: 20μM HYDROPHILICITY(C-18 HPLC) : 0.80 pKa : 5.02 (171)" "170/171/" "bileaciPage100.html" "BA0101" 5.00 "(22S,23R)-3α,7β-DIHYDROXY-22,23-METHYLENE-5β-CHOLAN-24-OIC ACID" "C25H40O4" 25.00 40.00 4.00 0.00 0.00 0.00 404 " H (REF: )" " メトツCOOH" " ナ/\ネ" " カトH ミ" " /\ヌ\ H" " オカスコ" " /\ヌ\/ナ" " オ オ オ H" " ユハ/レ/ラ" " H OH H HO H" "133-136゚C(170)" "[α]25/D : +14.5(EtOH) (171)" "6μM (171)" "170/171/" "(NUJOL) 3380cm-1(OH), 1700cm-1(C=O) (170)" "PMR(CD3OD+CDCl3) : 0.67(s,18-Me), 0.97(s,19-Me), 3.17-3.73(m,CHOH), 4.63(s,OH AND CO2H)(170) CMR Me ESTER : C-16 28.7,C-17 57.2,C-20 39.7,C-21 20.1,C-22 31.1,C-23 19.1, C-24 177.9,C CO2Me 17.5 (170)""" "CRITTCAL MICELLAR CONCENTRATION: 14μM HYDROPHILICITY(C-18 HPLC) : 1.30 pKa : 5.01 (171)" "170/171/" "bileaciPage101.html" "BA0102" 5.00 "(22R,23S)-3α,7β-DIHYDROXY-22,23-METHYLENE-5β-CHOLAN-24-OIC ACID" "C25H40O4" 25.00 40.00 4.00 0.00 0.00 0.00 404 " H (REF: )" " テ/オCOOH" " ナ/\ヌ" " カトH ツ" " /\ヌ\ H" " オカスコ" " /\ヌ\/ナ" " オ オ オ H" " ユハ/レ/ラ" " H OH H HO H" "168-170゚C(170)" "[α]25/D : +59.9゚(EtOH) (171)" "5μM (171)" "170/171/" "(NUJOL) 3380cm-1(OH), 1700cm-1(C=O) (170)" "PMR(CD3OD+CDCl3) : 0.67(s,18-Me), 0.97(s,19-Me), 1.00(d,21-Me), 3.37-3.82 (m,CHOH), 4.37(s,OH AND CO2H)(170) CMR Me ESTER : C-16 28.5,C-17 57.2,C-20 39.4,C-21 20.0,C-22 30.3,C-23 23.3, C-24 177.3,C CO2Me 12.7 (170)""" "CRITTCAL MICELLAR CONCENTRATION: 10μM HYDROPHILICITY(C18 HPLC) : 2.05 pKa : 5.02 (171)" "170/171/" "bileaciPage102.html" "BA0103" 5.00 "3α,6α,7β-TRIHYDROXY-5α-CHOLAN-24-OIC ACID" "ALLO ω-MURICHOLIC ACID" "ALLO ω-MCA" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " (REF:172)" " \/\" " カトH オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/ナ" " オ オ オ H" " ユハ/ハ/ラH" " H OH H ラOH" " H OH" "172/" "242-244゚C(from EtOAc),192-193゚C(Me ESTER)(172)" "172/" "1685cm-1(C=O), 3481,1007cm-1(OH)(172)" "1H-NMR(CDCl3+DMSO-d6) 0.67(s,18-Me), 0.79(s,19-Me), 0.93(d,J=6.3Hz,21-Me), 3.02(brm,6β- and 7α-H), 4.00(m,3β-H)C17=56.18,C18=12.25,C19=12.54,C20=35.50,C21=18.47,C22=31.20, C23=31.27,C24=175.56,CCOOMe=51.93 (172)13C-NMR(Me ESTER)(CDCl3+10% MeOH-d4) C1=32.62,C2=28.66,C3=65.76,C4=30.06, C5=42.10,C6=75.27,C7=80.64" "Me ESTER M/Z(RELATIVE INTENSITY) 404(54%,M-H2O), 386(100%,M-2H2O), 368(48%,M-3H2O), 289(34%), 271(49%), 262(21%), 253(20%)(172)" "172/" "bileaciPage103.html" "BA0104" 5.00 "3α,6β,7β-TRIHYDROXY-5α-CHOLAN-24-OIC ACID" "ALLO β-MURICHOLIC ACID" "ALLO β-MCA" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " (REF:172)" " \/\" " カトH オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/ナ" " オ オ オ H" " ユハ/ハ/ラH" " H OH H ラOH" " HO H" "172/" "242-245゚C(from aq・EeOH),130-132゚C(Me ESTER)(172)" "172/" "1710cm-1(C=O), 3412,1035,1009cm-1(OH)(172)" "1H-NMR(CDCl3+20% DMSO-d6) 0.69(s,18-Me), 0.96(s,19-Me), 3.26(brm, 7α-H), 3.54(m,6α-H),4.08(m,3β-H) (172) 13C-NMR(Me ESTER) C1=33.01,C2=29.16,C3=66.58,C4=34.14,C5=40.20,C6=74.92, C7=76.86,C8=38.26,C9=52.47,C10=35.35,C11=20.56,C12=39.90, C17=55.47,C18=12.24,C19=15.04,C20=35.45,C21=18.48,C22=31.13, C23=31.09,C24=174.88,CCOOMe=51.59 (172)" "Me ESTER M/Z(RELATIVE INTENSITY) 404(100%,M-H2O), 386(83%,M-2H2O), 368(38%,M-3H2O), 289(22%), 271(45%), 262(71%), 253(19%)(172)" "172/" "bileaciPage104.html" "BA0105" 5.00 "3α,6β,7β,12α-TETRAHYDROXY-5α-CHOLAN-24-OIC ACID" "C24H40O6" 24.00 40.00 6.00 0.00 0.00 0.00 424 " (REF:172)" " H HO\/\" " メトカトH オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/ナ" " オ オ オ H" " ユハ/ハ/ラH" " H OH H ラOH" " HO H" "172/" "235-237゚C(FROM EtOAc/HEXANE),151-152゚C(Me ESTER)(172)" "172/" "1698cm-1(C=O), 3525,1033,1014cm-1(OH)(172)" "1H-NMR(CDCl3+20% DMSO-d6)0.69(s,18-Me),0.93(s,19-Me),0.99(d,J=6.3Hz,21-Me), 3.25(brm,7α-H),3.51(m,6α-H),3.92(m,12β-H),4.06(m,3β-H)(172) 13C-NMR(Me ESTER) C1=32.95,C2=29.04,C3=66.45,C4=34.06,C5=40.38,C6=75.02, C7=76.58,C8=38.23,C9=45.33,C C17=47.13,C18=12.90,C19=14.81,C20=35.14,C21=17.48,C22=31.00, C23=31.18,C24=174.86,CCOOMe=51.61 (172)" "Me ESTER M/Z(RELATIVE INTENSITY) 420(2%,M-H2O), 402(16%,M-2H2O), 384(10%,M-3H2O), 305(100%), 287(57%), 269(91%), 251(18%)(172)" "172/" "bileaciPage105.html" "BA0106" 5.00 "3α,7β-DIHYDROXY-6-OXO-5α-CHOLAN-24-OIC ACID" "C24H38O5" 24.00 38.00 5.00 0.00 0.00 0.00 406 " (REF:172)" " \/\" " カトH オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/ナ" " オ オ オ H" " ユハ/ハ/ラH" " H OH H セOH" " O" "172/" "223-224゚C(FROM aq・EtOH),136-139゚C(Me ESTER)(172)" "172/" "1719,1686cm-1(C=O), 3540,1007cm-1(OH)(172)" "1H-NMR(CDCl3+20% DMSO-d6)0.67(s,18- and 19-Me),0.94(d,J=5.4Hz,21-Me), 3.71(d,J=9.0Hz,7α-H),4.00(m,3β-H) (172)" "172/" "bileaciPage106.html" "BA0107" 5.00 "3α,7β,12α-TRIHYDROXY-6-OXO-5α-CHOLAN-24-OIC ACID" "C24H38O6" 24.00 38.00 6.00 0.00 0.00 0.00 422 " (REF:172)" " H HO\/\" " メトカトH オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/ナ" " オ オ オ H" " ユハ/ハ/ラH" " H OH H セOH" " O" "172/" "219-221゚C(FROM EtOAc),167-168゚C(Me ESTER)(172)" "172/" "1713,1687cm-1(C=O), 3528,1039,1014,990cm-1(OH)(172)" "1H-NMR(CDCl3+20% DMSO-d6)0.67(s,18- and 19-Me),1.00(d,J=5.4Hz,21-Me), 3.80(d,J=9.0Hz,7α-H),3.95(m,12β-H),4.05(m,3β-H) (172)" "172/" "bileaciPage107.html" "BA0108" 5.00 "3α,6β,7α,12β-TETRAHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O6" 24.00 40.00 6.00 0.00 0.00 0.00 424 " (REF:173)" " HO H\/\" " メトカトH オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/ナ" " オ オ オ H" " ユハ/レ/ラ" " H OH H ラH OH" " HO H" "173/" "168-170゚C(FROM EtOAc)(173)" "[α]25/D=+30.2 (173)" "173/" "1717cm-1(C=O), 3410,998cm-1(OH)(173)" "1H-NMR(CDCl3+DMSO-d6)0.76(s,18-Me),1.02(d,J=5.6Hz,21-Me),1.08(s,19-Me), 3.39(brm,3β- and 12α-H),3.67(m,6α- and 7β-H)(173)" "Me-TMS M/Z(RELATIVE INTENSITY) 711(3%,M-15),636(3%,M-90),546(56%,M-2x90), 456(87%,M-3x90),366(34%,M-4x90),341(100%), 285(7%),251(81%)(173)" "173/" "bileaciPage108.html" "BA0109" 5.00 "3α,6β,7β,12β-TETRAHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O6" 24.00 40.00 6.00 0.00 0.00 0.00 424 " (REF:173)" " HO H\/\" " メトカトH オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/ナ" " オ オ オ H" " ユハ/レ/ラH" " H OH H ラOH" " HO H" "173/" "204-206゚C(FROM EtOAc)(173)" "[α]25/D=+60.3 (173)" "173/" "1718cm-1(C=O), 3410,1005cm-1(OH)(173)" "1H-NMR(CDCl3+DMSO-d6)0.74(s,18-Me),1.00(d,J=5.6Hz,21-Me),1.07(s,19-Me), 3.39(brm,3β-,7α-,and 12α-H),3.55(m,6α-H)(173)" "Me-TMS M/Z(RELATIVE INTENSITY) 711(0.4%,M-15),636(1%,M-90),546(4%,M-2x90), 456(11%,M-3x90), 366(5%,M-4x90),341(16%), 285(75%), 251(10%)(173)" "173/" "bileaciPage109.html" "BA0110" 5.00 "3α,12β-DIHYDROXY-5β-CHOL-6-EN-24-OIC ACID" "C24H38O4" 24.00 38.00 4.00 0.00 0.00 0.00 390 " (REF:173)" " HO H\/\" " メトカトH オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/ナ" " オ オ オ H" " ユハ/レキ" " H OH H" "173/" "[α]25/D=+28.1(Me ESTER) (173)" "173/" "Me ESTER 1740cm-1(C=O), 3400,1002cm-1(OH)(173)" "1H-NMR(Me ESTER)(CDCl3+DMSO-d6) 0.72(s,18-Me), 0.87(s,19-Me), 1.00(d,J=5.4Hz,21-Me), 3.50(bm,3β- and 12α-H),3.67(s,-COOMe), 5.45(s,6- and 7-H)(173)" "Me-TMS M/Z(RELATIVE INTENSITY) 533(2%), 458(13%), 368(9%), 343(45%), 281(3%), 253(100%) (173)" "173/" "bileaciPage110.html" "BA0111" 5.00 "3α-HYDROXY-24-NOR-5β-CHOLAN-23-OIC ACID" "NORLITHOCHOLIC ACID" "norLCA" "C23H38O3" 23.00 38.00 3.00 0.00 0.00 0.00 362 " (REF:174)" " \/\" " カトH COOH" " /\ォ\" " オカスコ" " /\ォ\/ナ" " オ オ オ H" " ユハ/レ/" " H OH H" "174/" "183.5-184.5゚C(FROM ACETONE),107-108゚C(Me ESTER)(174)" "174/" "1H-NMR(CDCl3+10% DMSO-d6)0.71(s,18-Me),0.93(s,19-Me),0.99(d,J=6.0Hz,21-Me), 3.53(m,3β-H)(174) 13C-NMR(Me ESTER)(CDCl3) C1=35.2, C2=30.4, C3=71.6, C4=36.3, C5=42.0, C6=27.1, C7=26.3, C8=35.7, C9=40.3, C10=34.5, C11=20.7, C12=40.0, C13=42.C14=56.4, C15=24.1, C16=28.2, C17=56.0, C18=12.0, C19=23.3, C20=33.7, C21=19.4, C22=41.4, C23=174.0, C/COOMe=51.3 (174)" "174/" "bileaciPage111.html" "BA0112" 5.00 "3α,7α-DIHYDROXY-24-NOR-5β-CHOLAN-23-OIC ACID" "NORCHENODEOXYCHOLIC ACID" "norCDCA" "C23H38O4" 23.00 38.00 4.00 0.00 0.00 0.00 378 " (REF:174)" " \/\" " カトH COOH" " /\ォ\" " オカスコ" " /\ォ\/ナ" " オ オ オ H" " ユハ/レ/ラ" " H OH H H OH" "174/" "204-205゚C(FROM ACETONE),83.5-85゚C(Me ESTER)(174)" "174/" "1H-NMR(CDCl3+DMSO-d6) 0.69(s,18-Me),0.88(s,19-Me),0.98(d,J=6.0Hz,21-Me),3.32(m,3β-H),3.73(bs,7β-H) (174)13C-NMR(Me ESTER)(CDCl3) C1=35.2, C2=30.5, C3=71.8, C4=39.4, C5=41.3, C6=34.6, C7=68.3, C8=39.3, C9=32.7, C10=34.9, C11=20.4, C12=39. C14=50.3, C15=23.5, C16=28.1, C17=55.8, C18=11.7, C19=22.7, C20=33.7, C21=19.4, C22=41.3, C23=174.0, C/COOMe=51.2 (174)" "174/" "bileaciPage112.html" "BA0113" 5.00 "3α,7β-DIHYDROXY-24-NOR-5β-CHOLAN-23-OIC ACID" "NORURSODEOXYCHOLIC ACID" "norUDCA" "C23H38O4" 23.00 38.00 4.00 0.00 0.00 0.00 378 " (REF:174)" " \/\" " カトH COOH" " /\ォ\" " オカスコ" " /\ォ\/ナ" " オ オ オ H" " ユハ/レ/ラ" " H OH H HO H" "174/" "248-250゚C(FROM ACETONE-MeOH),178-180゚C(Me ESTER)" "174/" "1H-NMR(CDCl3+10% DMSO-d6)0.70(s,18-Me),0.93(s,19-Me),0.98(d,J=5.5Hz,21-Me), 3.41(m,3β- and 7α-H)(174) 13C-NMR(Me ESTER) C1=34.7, C2=30.1, C3=71.0, C4=37.1, C5=42.3, C6=36.9, C7=71.0, C8=43.5, C9=39.0, C10=33.9, C11=21.0, C12=39.9, C17=54.9, C18=12.0, C19=23.2, C20=33.5, C21=19.5, C22=41.3, C23=173.8, C/COOMe=51.2 (174)" "Me ESTER M/Z(RELATIVE INTENSITY)392(3%,M+),374(25%,M-H2O),356(55%,M-2xH2O),341(50%),302(20%),283(56%),255(53%)(174)" "174/" "bileaciPage113.html" "BA0114" 5.00 "3α,12α-DIHYDROXY-24-NOR-5β-CHOLAN-23-OIC ACID" "NORDEOXYCHOLIC ACID" "norDCA" "C23H38O4" 23.00 38.00 4.00 0.00 0.00 0.00 378 " (REF:174)" " H HO\/\" " メトカトH COOH" " /\ォ\" " オカスコ" " /\ォ\/ナ" " オ オ オ H" " ユハ/レ/" " H OH H" "174/" "212-213.5゚C(FROM ACETONE),166.5-167.5゚C(Me ESTER)(174)" "174/" "1H-NMR(CDCl3+10% DMSO-d6)0.69(s,18-Me),0.89(s,19-Me),1.03(d,J=3.0Hz,21-Me), 3.50(m,3β-H),3.90(bs,12β-H)(174) 13C-NMR(Me ESTER) C1=35.1, C2=30.3, C3=71.5, C4=36.3, C5=41.9, C6=27.0, C7=26.0, C8=35.9, C9=33.5, C10=34.0, C11=28.5, C12=72.8, C17=47.2, C18=12.6, C19=23.0, C20=33.5, C21=18.4, C22=41.2, C23=173.9, C/COOMe=51.3 (174)" "174/" "bileaciPage114.html" "BA0115" 5.00 "3α,7α,12α-TRIHYDROXY-24-NOR-5β-CHOLAN-23-OIC ACID" "NORCHOLIC ACID" "norCA" "C23H38O5" 23.00 38.00 5.00 0.00 0.00 0.00 394 " (REF:174)" " H HO\/\" " メトカトH COOH" " /\ォ\" " オカスコ" " /\ォ\/ナ" " オ オ オ H" " ユハ/レ/ラ" " H OH H H OH" "174/" "188-190゚C(FROM ACETONE),157.5-158゚C(Me ESTER)(174)" "174/" "1H-NMR(CDCl3+10% DMSO-d6) 0.70(s,18-Me), 0.87(s,19-Me), 1.06(bs,W1/2 6Hz, 21-Me),3.32(m,3β-H),3.75(bs,7β-H),3.87(bs,12β-H)(174) 13C-NMR(Me ESTER) C1=35.2, C2=30.0, C3=71.6, C4=39.3, C5=41.4, C6=34.6,C7=68.2, C8=39.3, C9=26.1, C10=34.5, C11=27.9, C12 C17=46.9, C18=12.3, C19=22.3, C20=33.6, C21=18.4, C22=41.2, C23=174.0, C/COOMe=51.3 (174)" "174/" "CTX患者の尿(175)" "175/" "bileaciPage115.html" "BA0116" 5.00 "3α,6α-DIHYDROXY-24-NOR-5β-CHOLAN-23-OIC ACID" "NORHYODEOXYCHOLIC ACID" "norHDCA" "C23H38O4" 23.00 38.00 4.00 0.00 0.00 0.00 378 " (REF:174)" " \/\" " カトH COOH" " /\ォ\" " オカスコ" " /\ォ\/ナ" " オ オ オ H" " ユハ/レ/" " H OH H ラ" " H OH" "174/" "218-219.5゚C(FROM AcOEt)(174)" "174/" "1H-NMR(CDCl3+10% DMSO-d6)0.67(s,18-Me),0.89(s,19-Me),1.00(d,J=5.8Hz,21-Me), 3.51(m,3β-H),3.97(m,W1/2 24Hz,6β-H)(174) 13C-NMR(Me ESTER) C1=35.6, C2=29.9, C3=71.3, C4=29.2, C5=48.4, C6=67.8, C7=34.6, C8=34.7, C9=39.8, C10=35.8, C11=20.7, C12=39.8, C17=56.0, C18=12.0, C19=23.5, C20=33.7, C21=19.4, C22=41.3, C23=173.9, C/COOMe=51.3 (174)" "174/" "bileaciPage116.html" "BA0117" 5.00 "3α,7α-DIHYDROXY-7β-METHYL-24-NOR-5β-CHOLAN-23-OIC ACID" "7-METHYL-NORCHENODEOXYCHOLIC ACID" "7-Me-norCDCA" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " (REF:176)" " \/\" " カトH COOH" " /\ォ\" " オカスコ" " /\ォ\/ナ" " オ オ オ H" " ユハ/レ/ラ" " H OH H Me OH" "176/" "232-234゚C (FROM EtOAc)(176)" "176/" "1H-NMR 0.72(s,18-Me), 0.87(s,19-Me), 0.99(d,J=6.1Hz,21-Me), 1.23(s,7β-Me), 2.18(q,J=12Hz,4α-H), 2.43(q,J1=14.3Hz,J2=2.9Hz,22-CH2), 3.49(sep,3β-H) (176)""" "Me-TMS M/Z(RELATIVE INTENSITY) 550(11%,M+),535(16%,M-15),445(8%,M-(90+15)), 370(15%,M-2x90),257(100%)" "176/" "bileaciPage117.html" "BA0118" 5.00 "3β-HYDROXY-24-NOR-5β-CHOLAN-23-OIC ACID" "C23H38O3" 23.00 38.00 3.00 0.00 0.00 0.00 362 " (REF:177)" " \/\" " カトH COOH" " /\ォ\" " オカスコ" " /\ォ\/ナ" " オ オ オ H" " ユハ/レ/" " HO H H" "177/" "178-179゚C(FROM aq・ACETONE)(177)" "177/" "1H-NMR(Me ESTER) 0.69(s,18-Me),0.97(s,19-Me),0.97(d,21-Me), 2.40(d,J=10Hz,22-CH2),3.66(s,COOMe),4.10(bs,3α-H)(177) 13C-NMR(Me ESTER)C1=30.03,C2=28.35,C3=67.24,C4=33.66,C5=36.67,C6=26.72,C7=26.34,C8=35.75, C17=56.29,C18=12.17,C19=23.96,C20=33.88,C21=19.60,C22=41.55, C23=174.14,C/COOMe=51.38 (177)" "M/Z(RELATIVE INTENSITY) 362(4%,M+),347(4%,M-Me),344(16%,M-H2O),329(18%,M-H2O-Me),248(4%),233(13%),215(19%)(177)" "177/" "bileaciPage118.html" "BA0119" 5.00 "3α-AMINO-7α,12α-DIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H41O4N" 24.00 41.00 4.00 1.00 0.00 0.00 407 " (REF:178)" " H HO\/\" " メトカトH オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/ナ" " オ オ オ H" " ユハ/レ/ラ" " H NH2 H H OH" "178/" "219゚C (178)" "178/" "1H-NMR(CD3OD) 0.72(s,18-Me),0.97(s,19-Me),1.02(d,J=6Hz,21-Me), 2.93(m,3β-H),3.82(m,7β-H),3.98(m,12β-H)(178)" "178/" "bileaciPage119.html" "BA0120" 5.00 "3β-AMINO-7α,12α-DIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H41O4N" 24.00 41.00 4.00 1.00 0.00 0.00 407 " (REF:178)" " H HO\/\" " メトカトH オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/ナ" " オ オ オ H" " ユハ/レ/ラ" "H2N H H H OH" "178/" "205゚C (178)" "178/" "1H-NMR(CD3OD) 0.70(s,18-Me),0.94(s,19-Me),1.01(d,J=6Hz,21-Me), 3.47(m,3α-H),3.85(m,7β-H),4.00(m,12β-H)(178)" "178/" "bileaciPage120.html" "BA0121" 5.00 "7α-AMINO-3α,12α-DIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H41O4N" 24.00 41.00 4.00 1.00 0.00 0.00 407 " (REF:178)" " H HO\/\" " メトカトH オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/ナ" " オ オ オ H" " ユハ/レ/ラ" " H OH H H NH2" "178/" "209゚C (178)" "178/" "1H-NMR(CD3OD) 0.60(s,18-Me),0.83(s,19-Me),0.91(d,J=5Hz,21-Me), 3.02(m,7β-H),3.22(m,3β-H),3.77(m,12β-H)(178)" "178/" "bileaciPage121.html" "BA0122" 5.00 "7β-AMINO-3α,12α-DIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H41O4N" 24.00 41.00 4.00 1.00 0.00 0.00 407 " (REF:178)" " H HO\/\" " メトカトH オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/ナ" " オ オ オ H" " ユハ/レ/ラ" " H OH H H2N H" "178/" "200゚C (178)" "178/" "1H-NMR(CD3OD) 0.60(s,18-Me),0.83(s,19-Me),0.91(d,J=5Hz,21-Me), 2.88(m,7α-H),3.36(m,3β-H),3.77(m,12β-H)(178)" "178/" "bileaciPage122.html" "BA0123" 5.00 "12α-AMINO-3α,7α-DIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H41O4N" 24.00 41.00 4.00 1.00 0.00 0.00 407 " (REF:178)" " H H2N\/\" " メトカトH オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/ナ" " オ オ オ H" " ユハ/レ/ラ" " H OH H H OH" "178/" "210゚C (178)" "178/" "1H-NMR(CD3OD) 0.64(s,18-Me),0.80(s,19-Me),0.90(d,J=5Hz,21-Me), 3.02(m,12β-H),3.18(m,3β-H),3.60(m,7β-H)(178)" "178/" "bileaciPage123.html" "BA0124" 5.00 "12β-AMINO-3α,7α-DIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H41O4N" 24.00 41.00 4.00 1.00 0.00 0.00 407 " (REF:178)" " H2N H\/\" " メトカトH オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/ナ" " オ オ オ H" " ユハ/レ/ラ" " H OH H H OH" "178/" "198゚C (178)" "178/" "1H-NMR(CD3OD) 0.69(s,18-Me),0.84(s,19-Me),0.94(d,J=5Hz,21-Me), 2.80(m,12α-H),3.22(m,3β-H),3.61(m,7β-H)(178)" "178/" "bileaciPage124.html" "BA0125" 5.00 "3α-AMINO-5β-CHOLAN-24-OIC ACID" "C24H41O2N" 24.00 41.00 2.00 1.00 0.00 0.00 375 " (REF:179)" " \/\" " カトH オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/ナ" " オ オ オ H" " ユハ/レ/" " H NH2 H" "179/" "265-267゚C(HYDROCHLORIDE) (179)" "[α]/589 = +31゚ (179)" "179/" "bileaciPage125.html" "BA0126" 5.00 "3β-AMINO-5β-CHOLAN-24-OIC ACID" "C24H41O2N" 24.00 41.00 2.00 1.00 0.00 0.00 375 " (REF:179)" " \/\" " カトH オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/ナ" " オ オ オ H" " ユハ/レ/" "H2N H H" "179/" "285-287゚C(HYDROCHLORIDE) (179)" "[α]/589 = +24゚ (179)" "179/" "bileaciPage126.html" "BA0127" 5.00 "3α,7α-DIHYDROXY-25-HOMO-5β-CHOLAN-25-OIC ACID" "HOMOCHENODEOXYCHOLIC ACID" "homoCDCA" "C25H42O4" 25.00 42.00 4.00 0.00 0.00 0.00 406 " (REF:180)" " \/\" " カトH オ" " /\ォ\ \" " オカスコ COOH" " /\ォ\/ナ" " オ オ オ H" " ユハ/レ/ラ" " H OH H H OH" "180/" "210-212゚C(FROM aq・ACETONE),94-95゚C(Me ESTER)(180)" "180/" "2935,2865,1692,1365,1265,1068,965cm-1(180)" "M/Z 406(M+), 388(M-H2O), 370(M-2xH2O), 355(M-(2xH2O+Me)), 301, 255 (180)" "180/" "ハムスターにおける HOMOCHENODEOXYCHOLIC ACID の代謝物(181)" "181/" "bileaciPage127.html" "BA0128" 5.00 "3α,5β,7α-TRIHYDROXY-24-NOR-5β-CHOLAN-23-OIC ACID" "C23H38O5" 23.00 38.00 5.00 0.00 0.00 0.00 394 " (REF:181/182)" " \/\" " カトH COOH" " /\ォ\" " オカスコ" " /\ォ\/ナ" " オ オ オ H" " ユハ/レ/ラ" " H OH OH H OH" "181/182/" "1H-NMR(CDCl3)[Me ESTER] 0.70(s,18-Me),0.88(s,19-Me),0.98(d,J=6.0Hz,21-Me), 2.43(bd,J=11.5Hz,22-CH2), 2.54(t,J=12.2Hz,4α-H), 3.67(s,COOMe),3.91(m,3β- and 7β-H) (182)13C-NMR(CDCl3)[Me ESTER] C1=29.8, C2=29.9, C3=67.7, C4=44.0, C5=75.0,C6=45.C11=20.7, C12=39.9, C13=42.4, C14=50.2, C15=23.6, C16=28.1, C17=55.7, C18=11.6, C19=15.8, C20=33.7, C21=19.4, C22=41.3, C23=173.8, C/COOMe=51.3 (182)" "Me-TMS M/Z 534(M-90), 444(M-2x90), 355(M-(2x90+89)), 259, 253 (181/182)" "182/181/" "ハムスターに投与した HOMOCHENODEOXYCHOLIC ACID の代謝物(181) ハムスターに投与した 24-NORCHENODEOXYCHOLIC ACID の代謝物(182)" "181/182/" "bileaciPage128.html" "BA0129" 5.00 "3α,5β,7β-TRIHYDROXY-24-NOR-CHOLAN-23-OIC ACID" "C23H38O5" 23.00 38.00 5.00 0.00 0.00 0.00 394 " (REF:182)" " \/\" " カトH COOH" " /\ォ\" " オカスコ" " /\ォ\/ナ" " オ オ オ H" " ユハ/レ/ラ" " H OH OH HO H" "182/" "1H-NMR(CDCl3)[Me ESTER] 0.71(s,18-Me),0.90(s,19-Me),0.98(d,J=6.1Hz,21-Me), 2.43(bd,J=12.2Hz,22-CH2), 3.50(m,7α-H), 3.66(s,COOMe),4.03(m,3β-H) (182)13C-NMR(CDCl3)[Me ESTER] C1=29.7, C2=29.4, C3=67.5, C4=42.9, C5=74.9,C6=46.0, C7=72.2,C11=21.1, C12=39.6, C13=43.5, C14=55.7, C15=26.7, C16=28.6, C17=54.8, C18=12.0, C19=16.2, C20=33.6, C21=19.5, C22=41.3, C23=173.8, C/COOMe=51.3 (182)" "Me-TMS M/Z 534(M-90), 444(M-2x90), 355(M-(2x90+89)), 259, 253 (182)" "182/" "ハムスター, ラットに投与した 24-NORURSOCHENODEOXYCHOLIC ACID の代謝物(182) 5β−水酸化は胆汁酸では初めて。(182) ウサギ, 犬, 人では起こらない。(182)" "182/" "bileaciPage129.html" "BA0130" 5.00 "(22R)-3α,7α,22-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " H OH (REF:183/184)" " メト" " ナ/\" " カトH オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/ナ" " オ オ オ H" " ユハ/レ/ラ" " H OH H H OH" "183/184/" "141-142゚C(183),133-136゚C(184)" "[α]/D=+1.0゚C (C=1.3,MeOH)(183)" "183/184/" "3400cm-1(OH), 1720cm-1(C=O) (183)" "1H-NMR(CD3OD) 0.72(s,18-Me),0.92(s,19-Me),0.97(d,21-Me), 3.20-3.50(brm,3β-H),3.70-3.85(m,7β-H),4.00-4.30(brm,22-H),4.76(s,3α-,7α-,and 22-OH and 24-CO2H)(184)13C-NMR(CD3OD) C1=36.5, C2=31.4, C3=72.9, C4=40.6, C5=43.1, C6=35.9, C7=69.1, C8=40 C11=21.7, C12=40.8, C13=43.9, C14=51.2, C15=24.7, C16=28.4, C17=54.6, C18=12.1, C19=23.4, C20=43.1, C21=12.8, C22=71.2, C23=36.5, (183)" "Me ESTER M/Z 422(M+), 404(M-H2O), 386(M-2xH2O) (183)" "183/" "bileaciPage130.html" "BA0131" 5.00 "(22S)-3α,7α,22-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "HAEMULCHOLIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " HO H (REF:183/184)" " メト" " ナ/\" " カトH オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/ナ" " オ オ オ H" " ユハ/レ/ラ" " H OH H H OH" "183/184/" "247-250゚C(183),248-251゚C(184)" "[α]/D=+2.4゚C (C=1.3,MeOH)(183)" "183/184/" "3400cm-1(OH), 1720cm-1(C=O) (183)" "1H-NMR(CDCl3/CD3OD) 0.68(s,18-Me),0.92(s,19-Me),0.95(d,21-Me), 3.17-3.50(brm,3β-H), 3.68-3.87(m,7β-H),3.97-4.27(m,22-H),4.57(s,3α-,7α-,and 22-OH and 24-CO2H)(184)13C-NMR(CD3OD) C1=36.6, C2=31.5, C3=73.0, C4=40.6, C5=43.2, C6=36.0,C7=69.2 C11=21.8, C12=41.2, C13=43.5, C14=51.4, C15=24.7, C16=28.7, C17=53.8, C18=12.1, C19=23.4, C20=42.0, C21=12.4, C22=70.9, C23=41.5, (183)" "Me ESTER M/Z 422(M+), 404(M-H2O), 386(M-2xH2O) (183)" "183/" "MARINE TELEOST, PARAPRISTIPOMA TRILINEATUM の胆汁中(185) 淡水魚,POLYPTERUS SENEGALUS および MORMYRUS CABALLUS の胆汁中(186)" "185/186/" "HAEMULCHOLIC ACIDの構造は(22S)-3α,7α,22-TRIHYDROXY-5β-CHOLAN-24-OIC ACIDであると決定(183/184)" "183/184/" "bileaciPage131.html" "BA0132" 5.00 "12β-HYDROXY-3-KETO-5β-CHOLAN-24-OIC ACID" "C24H38O4" 24.00 38.00 4.00 0.00 0.00 0.00 390 " (REF:187)" " HO H\/\" " メト モH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " カ カ カ H" " エ\/レ/" " O H" "187/" "[α]/D = +44゚ (187)" "187/" "1H-NMR (CDCl3) 0.76(s,18-Me),0.98(s,21-Me),1.00(s,19-Me AND 21-Me), 3.48(m,12α-H) 13C-NMR(CDCl3) 7.61(C18,Me),79.46(C12,CHOH),179.78(C24,COOH),213.91(C3,C=O) (187)""" "187/" "化学合成品" "bileaciPage132.html" "BA0133" 5.00 "7α,12β-DIHYDROXY-3-KETO-5β-CHOLAN-24-OIC ACID" "C24H38O5" 24.00 38.00 5.00 0.00 0.00 0.00 406 " (REF:187)" " HO H\/\" " メト モH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " カ カ カ H" " エ\/レ/ラ" " O H H OH" "187/" "142-145゚C(CH2Cl2/PETROLEUM ETHER) (187)" "[α]/D = +26.8゚ (187)" "187/" "1H-NMR (CDCl3) 0.77(s,18-Me),1.01(s,19-Me),1.01(d,J=6.5Hz,21-Me), 3.52(m,12α-H),3.94(br,7β-H) 13C-NMR(CDCl3) 7.82(C18,Me),68.03(C7,CHOH),79.00(C12,CHOH),178.85(C24,COOH) 213.43(C3,C=O)(187)""" "187/" "化学合成品" "bileaciPage133.html" "BA0134" 5.00 "3,12-DIKETO-7α-HYDROXY-5β-CHOLAN-24-OIC ACID" "C24H36O5" 24.00 36.00 5.00 0.00 0.00 0.00 404 " (REF:187)" " O \/\" " ウ モH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " カ カ カ H" " エ\/レ/ラ" " O H H OH" "187/" "192-194゚C(CH2Cl2/PETROLEUM ETHER)(187),193-195゚C(188)" "[α]/D = +74゚ (187)" "187/188/" "1H-NMR (CDCl3) 0.84(d,J=5.8Hz,21-Me),1.04(s,18-Me),1.07(s,19-Me), 3.99(br,7β-H) 13C-NMR(CDCl3) 11.55(C18,Me),67.79(C7,CHOH),178.00(C24,COOH),213.17(C3,C=O) 214.34(C12,C=O) (187)""" "187/" "化学合成品" "bileaciPage134.html" "BA0135" 5.00 "3α,6α-DIHYDROXY-5α-CHOLAN-24-OIC ACID" "ALLOHYODEOXYCHOLIC ACID" "allo HDCA" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " (REF:189)" " \/\" " モH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " カ カ カ H" " ユハ/ハ/" " H OH H ラ" " H OH" "189/" "238-240゚C(FROM aq・MeOH)(189),227-228゚C(190), 176-177゚C(Me ESTER)(189)176-177゚C(Me ESTER)(189)" "189/190/" "cm-1 1704(C=O), 3468, 1041, 1002, 984 (OH) (189)" "1H-NMR (CDCl3+20%DMSO-d6) 0.65(s,18-Me),0.77(s,19-Me),0.92(d,J=5.4Hz,21-Me) 3.29(brm,6β-H),4.05(m,3β-H) 13C-NMR(Me ESTER)(CDCl3) C3 65.97,C5 46.15,C6 69.82,C24 174.80, CcooMe 51.55 (189)""" "Me ESTER m/z(RELATIVE INTENSITY) 388(94%,[M-H2O]+),373(15%,[M-H2O-15]+), 370(55%,[M-2H2O]+),255(17%) (189)" "189/" "化学合成品" "bileaciPage135.html" "BA0136" 5.00 "3α,6β-DIHYDROXY-5α-CHOLAN-24-OIC ACID" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " (REF:189)" " \/\" " モH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " カ カ カ H" " ユハ/ハ/" " H OH H ラ" " HO H" "189/" "256-259゚C(FROM MeOH)(189),247-248゚C(190),168-171゚C(Me ESTER)(189)168-171゚C(Me ESTER)(189)" "189/190/" "cm-1 1703(C=O), 3435, 1026, 1009 (OH) (189)" "1H-NMR (CDCl3+20%DMSO-d6) 0.69(s,18-Me),0.93(d,J=6.3Hz,21-Me),0.98(s,19-Me) 3.65(m,6α-H),4.05(m,3β-H) 13C-NMR(Me ESTER)(CDCl3) C3 66.71,C5 41.76,C6 72.28,C24 174.88, CcooMe 51.56 (189)""" "Me ESTER m/z(RELATIVE INTENSITY) 406(1%,M+),388(100%,[M-H2O]+), 373(13%,[M-H2O-15]+),370(59%,[M-2H2O]+),273(12%),255(9%) (189)" "189/" "化学合成品" "bileaciPage136.html" "BA0137" 5.00 "3β,6α-DIHYDROXY-5α-CHOLAN-24-OIC ACID" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " (REF:189)" " \/\" " モH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " カ カ カ H" " ユハ/ハ/" " HO H H ラ" " H OH" "189/" "247-249゚C(FROM MeOH)(189),233-234゚C(190),228-229゚C(191),180-182゚C(Me ESTER)(189)228-229゚C(191),180-182゚C(Me ESTER)(189)" "189/190/191/" "cm-1 1708(C=O), 3378, 1043, 1009 (OH) (189)" "1H-NMR (CDCl3+20%DMSO-d6) 0.65(s,18-Me),0.79(s,19-Me),0.92(d,J=5.4Hz,21-Me) 3.45(brm,3α-and 6β-H) 13C-NMR(Me ESTER)(CDCl3) C3 71.28,C5 51.74,C6 69.50,C24 174.83,CcooMe 51.56 (189)""" "Me ESTER m/z(RELATIVE INTENSITY) 406(3%,M+),388(94%,[M-H2O]+), 370(20%,[M-2H2O]+),355(13%),273(18%),264(28%),255(11%) (189)" "189/" "化学合成品" "bileaciPage137.html" "BA0138" 5.00 "3β,6β-DIHYDROXY-5α-CHOLAN-24-OIC ACID" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " (REF:189)" " \/\" " モH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " カ カ カ H" " ユハ/ハ/" " HO H H ラ" " HO H" "189/" "286-289゚C(FROM aq・MeOH)(189),273-274゚C(190),189-190゚C(Me ESTER)(189)MPの続き 189-190゚C(Me ESTER)(189)" "189/190/" "cm-1 1712(C=O), 3409, 1039(OH) (189)" "1H-NMR (CDCl3+40%DMSO-d6) 0.68(s,18-Me),0.91(d,J=5.4Hz,21-Me),0.98(s,19-Me) 3.45(brm,3α-H),3.65(m,6α-H) 13C-NMR(Me ESTER)(CDCl3) C3 71.76,C5 47.45,C6 72.08,C24 174.84,CcooMe 51.56 (189)""" "Me ESTER m/z(RELATIVE INTENSITY) 406(1%,M+),388(100%,[M-H2O]+), 370(17%,[M-2H2O]+),355(9%),273(12%),264(10%),255(6%) (189)" "189/" "化学合成品" "bileaciPage138.html" "BA0139" 5.00 "6α-HYDROXY-5α-CHOLAN-24-OIC ACID" "C24H40O3" 24.00 40.00 3.00 0.00 0.00 0.00 376 " (REF:189)" " \/\" " モH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " カ カ カ H" " \/ハ/" " H ラ" " H OH" "189/" "246-248゚C(FROM aq・MeOH)(189)" "189/" "cm-1 1711(C=O), 3383, 1034, 1004(OH) (189)" "1H-NMR (CDCl3+40%DMSO-d6) 0.64(s,18-Me),0.76(s,19-Me),0.90(d,J=5.4Hz,21-Me) 3.30(brm,6β-H)" "Me ESTER m/z(RELATIVE INTENSITY) 390(4%,M+),372(100%,[M-H2O]+),357(18%), 257(18%),215(49%) (189)" "189/" "化学合成品" "bileaciPage139.html" "BA0140" 5.00 "6β-HYDROXY-5α-CHOLAN-24-OIC ACID" "C24H40O3" 24.00 40.00 3.00 0.00 0.00 0.00 376 " (REF:189)" " \/\" " モH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " カ カ カ H" " \/ハ/" " H ラ" " HO H" "189/" "227-230゚C(FROM MeOH),87-90゚C(Me ESTER)(189)" "189/" "cm-1 1708(C=O), 3390, 1022, 1004(OH) (189)" "1H-NMR (CDCl3+20%DMSO-d6) 0.68(s,18-Me),0.93(d,J=5.4Hz,21-Me),1.00(s,19-Me) 3.72(m,6α-H) 13C-NMR(Me ESTER)(CDCl3) C5 49.70,C6 72.55,C24 174.81,CcooMe 51.53 (189)" "Me ESTER m/z(RELATIVE INTENSITY) 390(2%,M+),372(100%,[M-H2O]+),357(15%), 257(14%),215(47%) (189)" "189/" "化学合成品" "bileaciPage140.html" "BA0141" 5.00 "3β-HYDROXY-6-OXO-5α-CHOLAN-24-OIC ACID" "C24H38O4" 24.00 38.00 4.00 0.00 0.00 0.00 390 " (REF:189)" " \/\" " モH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " カ カ カ H" " ユハ/ハ/" " HO H H セ" " O" "189/" "247-249゚C(FROM aq・MeOH)(189),243゚C(190) 244-245゚C(191),149-151゚C(Me ESTER)(189)244-245゚C(191),149-151゚C(Me ESTER)(189)" "189/190/191/" "cm-1 1726,1690(C=O), 3435,1022,997(OH) (189)" "1H-NMR (CDCl3) 0.67(s,18-Me),0.73(s,19-Me),0.93(d,J=5.4Hz,21-Me), 3.53(brm,3α-H)(189)" "189/" "化学合成品" "bileaciPage141.html" "BA0142" 5.00 "6α-HYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O3" 24.00 40.00 3.00 0.00 0.00 0.00 376 " (REF:189)" " \/\" " モH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " カ カ カ H" " \/レ/" " H ラ" " H OH" "189/" "226-228゚C(FROM MeOH)(189)" "189/" "cm-1 1703(C=O), 3348,1022,992(OH) (189)" "1H-NMR (CDCl3+20%DMSO-d6) 0.64(s,18-Me),0.90(s,19-Me),0.92(d,J=5.4Hz,21-Me) 4.01(brm,6β-H)(189)" "189/" "化学合成品" "bileaciPage142.html" "BA0143" 5.00 "6-OXO-5α-CHOLAN-24-OIC ACID" "C24H38O3" 24.00 38.00 3.00 0.00 0.00 0.00 374 " (REF:189)" " \/\" " モH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " カ カ カ H" " \/ハ/" " H セ" " O" "189/" "162-164゚C(FROM aq・MeOH),85-87゚C(Me ESTER)(189)" "189/" "cm-1 1710(C=O) (189)" "1H-NMR (CDCl3) 0.69(s,18-Me),0.72(s,19-Me),0.94(d,J=6.3Hz,21-Me) (189)" "189/" "化学合成品" "bileaciPage143.html" "BA0144" 5.00 "3β-HYDROXY-24-NORCHOL-5-EN-23-OIC ACID" "C23H36O3" 23.00 36.00 3.00 0.00 0.00 0.00 360 " (REF:192)" " \/\" " モH COOH" " /\ヌ\" " オカスコ" " /\ヌ\/ナ" " カ カ カ H" " ユハ/ク/" " HO H" "192/" "228-232゚C(FROM EtOAc),143-144゚C(Me ESTER)(192)" "[α]/D=-42.0゚ (192)" "192/" "Me ESTER cm-1(CS2), 3610(OH), 1735(COOMe) (192)" "192/" "TOBACCO HORNWORM,MANDUCA SEXTA(JOHANNSON)中" "192/" "bileaciPage144.html" "BA0145" 5.00 "3α-HYDROXY-12-OXO-24-NOR-5β-CHOLAN-23-OIC ACID" "C23H36O4" 23.00 36.00 4.00 0.00 0.00 0.00 376 " (REF:193)" " O \/\" " ウ モH COOH" " /\ヌ\" " オカスコ" " /\ヌ\/ナ" " カ カ カ H" " ユハ/レ/" " H OH H" "193/" "248-250゚C(FROM MeOH)(193)" "[α]/D= 69.7゚ (193)" "193/" "化学合成品" "bileaciPage145.html" "BA0146" 5.00 "3α,7α,12α-TRIHYDROXY-24-NOR-5α-CHOLAN-23-OIC ACID" "ALLONORCHOLIC ACID" "allonorCA" "C23H38O5" 23.00 38.00 5.00 0.00 0.00 0.00 394 " (REF:194)" " H HO\/\" " メト モH COOH" " /\ヌ\" " オカスコ" " /\ヌ\/ナ" " カ カ カ H" " ユハ/ハ/ラ" " H OH H H OH" "194/" "248-250゚C(FROM ACETONE),232-234゚C(Me ESTER)(194)" "[α]/D=+25.6゚ (194)" "194/" "cm-1 3465-3365, 2924, 1704 (194)" "1H-NMR(Me ESTER) (CDCl3)0.72(s,18-Me),0.76(s,19-Me),1.02(d,J=4Hz,21-Me) 2.50-2.75(m,3α,7α,12α-OH),3.66(s,COOMe), 3.50-4.16(m,3β,7β,12β-H) (194)""" "Me ESTER m/z(RELATIVE INTENSITY) 408(0.4%,M+),390(6%,M-18),372(71%,M-2x18), 354(19%,M-3x18),271(100%,M-(2x18+101)),253(49%,M-(3x18+101))(194)" "194/" "健常者の胆汁(195),CTX患者の胆汁(195/196),CTX患者の尿(196/175)" "195/196/175/" "bileaciPage146.html" "BA0147" 5.00 "3β,7α,12α-TRIHYDROXY-24-NOR-5α-CHOLAN-23-OIC ACID" "C23H38O5" 23.00 38.00 5.00 0.00 0.00 0.00 394 " (REF:194)" " H HO\/\" " メト モH COOH" " /\ヌ\" " オカスコ" " /\ヌ\/ナ" " カ カ カ H" " ユハ/ハ/ラ" " HO H H H OH" "194/" "235-237゚C(FROM ACETONE),175-177゚C(Me ESTER)(194)" "[α]/D=+27.60゚ (194)" "194/" "cm-1 3490-3370, 2925, 1700 (194)" "1H-NMR(Me ESTER) (CDCl3)0.73(s,18-Me),0.80(s,19-Me),1.02(d,J=4Hz,21-Me)" "Me ESTER m/z(RELATIVE INTENSITY) 408(0.4%,M+),390(5%,M-18),372(63%,M-2x18), 354(3%,M-3x18),271(100%,M-(2x18+101)),253(20%,M-(3x18+101))(194)" "194/" "化学合成品" "bileaciPage147.html" "BA0148" 5.00 "3β,7α,12α-TRIHYDROXY-24-NOR-5β-CHOLAN-23-OIC ACID" "C23H38O5" 23.00 38.00 5.00 0.00 0.00 0.00 394 " (REF:194)" " H HO\/\" " メト モH COOH" " /\ヌ\" " オカスコ" " /\ヌ\/ナ" " カ カ カ H" " ユハ/レ/ラ" " HO H H H OH" "194/" "Me ESTER 208-210゚C(FROM ETHER) (194)" "[α]/D=+28.2゚(Me ESTER) (194)" "194/" "Me ESTER cm-1 3340, 2860, 1725, 1590 (194)" "1H-NMR(Me ESTER) (CDCl3) 0.68(s,18-Me),0.87(s,19-Me),3.66(s,COOMe) (194)" "Me ESTER m/z(RELATIVE INTENSITY) 408(2%,M+),390(20%,M-18),372(80%,M-2x18), 354(23%,M-3x18),271(100%,M-(2x18+101)),253(61%,M-(3x18+101))(194)" "194/" "化学合成品" "bileaciPage148.html" "BA0149" 5.00 "7α,12α-DIHYDROXY-3-OXO-24-NOR-5α-CHOLAN-23-OIC ACID" "C23H36O5" 23.00 36.00 5.00 0.00 0.00 0.00 392 " (REF:194)" " H HO\/\" " メト モH COOH" " /\ヌ\" " オカスコ" " /\ヌ\/ナ" " カ カ カ H" " キ\/ハ/ラ" " O H H OH" "194/" "199-200゚C(Me ESTER)(194)" "[α]/D=+20.0゚(Me ESTER) (194)" "194/" "Me ESTER cm-1 3500-3400,1740(Me ESTER),1695(SIX MEMBER KETONE RING A)(194)" "1H-NMR(Me ESTER)(CDCl3) 0.68(s,18-Me),1.01(s,19-Me),1.06(d,J=4Hz,21-Me), 2.66(s,7α,12α-OH),3.70(s,COOMe),3.88-3.95(m,7β-H), 3.92-4.26(m,12β-H) (194)""" "Me ESTER m/z(RELATIVE INTENSITY) 406(2%,M+),388(7%,M-18),370(24%,M-2x18), 333(10%,M-73),269(100%,M-(2x18+101)),251(5%,M-(3x18+101))(194)" "194/" "化学合成品" "bileaciPage149.html" "BA0150" 5.00 "7α,12α-DIHYDROXY-3-OXO-24-NOR-5β-CHOLAN-23-OIC ACID" "C23H36O5" 23.00 36.00 5.00 0.00 0.00 0.00 392 " (REF:194)" " H HO\/\" " メト モH COOH" " /\ヌ\" " オカスコ" " /\ヌ\/ナ" " カ カ カ H" " キ\/レ/ラ" " O H H OH" "194/" "177-178゚C(Me ESTER)(194)" "[α]/D=+41.7゚(Me ESTER) (194)" "194/" "Me ESTER cm-1 3500-3400,2900,1738,1700(SIX MEMBER KETONIC RING)(194)" "1H-NMR(Me ESTER)(CDCl3) 0.77(s,18-Me),1.00(s,19-Me),1.08(d,J=4Hz,21-Me), 3.68(s,COOMe),4.66-5.00(m,7β,12β-H) (194)" "Me ESTER m/z(RELATIVE INTENSITY) 406(13%,M+),388(15%,M-18),370(15%,M-2x18), 269(100%,M-(2x18+101)),251(9%,M-(3x18+101))(194)""" "194/" "化学合成品" "bileaciPage150.html" "BA0151" 5.00 "7α,12α-DIHYDROXY-3-OXO-24-NORCHOL-4-EN-23-OIC ACID" "C23H34O5" 23.00 34.00 5.00 0.00 0.00 0.00 390 " (REF:194)" " H HO\/\" " メト モH COOH" " /\ヌ\" " オカスコ" " /\ヌ\/ナ" " カ カ カ H" " キ\キ\/ラ" " O H OH" "194/" "202-203゚C(Me ESTER)(194)" "[α]/D=+50.0゚(Me ESTER) (194)" "194/" "Me ESTER cm-1 3330-3400, 2866, 1725, 1680(α,β-UNSATURATED KETONE SIX MEMBER), 1625 (194)" "1H-NMR(Me ESTER)(CDCl3) 0.68(s,18-Me),1.03(d,J=4Hz,21-Me),1.16(s,19-Me), 2.63(m,7β,12β-OH),3.66(s,COOMe),3.75-4.08(m,7α,12α-H), 5.80(m,C-4) (194)""" "Me ESTER m/z(RELATIVE INTENSITY) 404(5%,M+),386(2%,M-18),368(26%,M-2x18), 267(100%,M-(2x18+101)),249(8%,M-(3x18+101))(194)" "194/" "化学合成品" "bileaciPage151.html" "BA0152" 5.00 "3α,7β-DIHYDROXY-6-OXO-5β-CHOLAN-24-OIC ACID" "C24H38O5" 24.00 38.00 5.00 0.00 0.00 0.00 406 " (REF:197)" " \/\" " モH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " カ カ カ H" " ユハ/レ/ラ" " H OH H セOH H" " O" "197/" "178-182゚C(Me ESTER)(197)" "[α]20/D=-1.69゚(Me ESTER) (197)" "197/" "Me ESTER cm-1(CHCl3) 3606, 3458, 2951, 2870, 1730, 1705, 1460, 1095, 1050 (197)" "Me ESTER 1H-NMR(CDCl3); 0.66(s,18-Me),0.81(s,19-Me),0.93(d,J=5.9Hz,21-Me), 3.66(s,COOMe),4.04(d,J7α,8β=10.0Hz,7α-H) (197)13C-NMR(CDCl3); C3 69.9,C5 57.6,C6 213.9,C7 76.3,C24 174.8, CcooMe 51.6 (197)""" "Me ESTER m/z(RELATIVE INTENSITY) 420(18%,M+),402(34%,M-18),305(14%,M-115), 287(50%,M-18-115),269(50%,M-(2x18+115))(197)" "197/" "化学合成品" "bileaciPage152.html" "BA0153" 5.00 "7α,12α-DIHYDROXY-3α-[2-(β-D-GLUCOPYRANOSYL)ACETYL]-5β-CHOLAN-24-OIC ACID" "CHOLIC ACID C-GLUCOSIDE" "CA-GLUCOSIDE" "C32H52O10" 32.00 52.00 10.00 0.00 0.00 0.00 596 " H HO\/\ (REF:198)" " メト モH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " カ カ カ H" " ユハ/レ/ラ" " H C H H OH" " /セ" "Glcpβ1-CH2 O" "198/" "172゚C(198)" "[α]20/D=+36.6゚ (198)" "198/" "1H-NMR(500MHz,CD3OD) 0.73(s,18-Me),0.79(d,J=6.3Hz,21-Me) 0.93(s,19-Me),2.21(dddd,J=11.1,11,1,4.5,and 4.5Hz,3β-H), 4.17(ddd,J=7.7,3.5,and 3.5Hz,7β-H),4.42(dd,J=2.8 and 2.8,12β-H)(198)""" "m/z 596(M+), 578(M-18), 560(M-36) (198)" "198/" "化学合成品" "bileaciPage153.html" "BA0154" 5.00 "3α-HYDROXY-6α-O-(β-D-GLUCOPYRANOSYL)-5β-CHOLAN-24-OIC ACID" "HYODEOXYCHOLIC ACID 6-GLUCOSIDE" "HDCA 6-GLUCOSIDE" "C30H50O9" 30.00 50.00 9.00 0.00 0.00 0.00 554 " \/\ (REF:199)" " モH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " カ カ カ H" " ユハ/レ/" " H OH H ラ" " H O" " |" " Glcpβ1" "199/" "184-187゚C(FROM EtOH-EtOAc)(199)" "199/" "cm-1 3387, 1711, 1078, 1039 (199)" "1H-NMR(CDCl3) 0.65(s,18-Me),0.90(s,19-Me),0.93(d,J=6.3Hz,21-Me), 3.55(brm,3β-H),(6β-H overlaps with H2O signal),4.33(d,J=7.5Hz,anomeric H) (199)""" "199/" "化学合成品" "bileaciPage154.html" "BA0155" 5.00 "6α-HYDROXY-3α-O-(β-D-GLUCOPYRANOSYL)-5β-CHOLAN-24-OIC ACID" "HYODEOXYCHOLIC ACID 3-GLUCOSIDE" "HDCA 3-GLUCOSIDE" "C30H50O9" 30.00 50.00 9.00 0.00 0.00 0.00 554 " \/\ (REF:199)" " モH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " カ カ カ H" " ユハ/レ/" " H O H ラ" " | H OH" " Glcpβ1" "199/" "195-198゚C(FROM EtOH-EtOAc)(199)" "199/" "cm-1 3385, 1651, 1078, 1032 (199)" "1H-NMR(CDCl3+20%CD3OD) 0.65(s,18-Me),0.91(s,19-Me),0.92(d,J=7.0Hz,21-Me), 3.62(brm,3β-H),(6β-H overlaps with H2O signal)," "199/" "化学合成品" "bileaciPage155.html" "BA0156" 5.00 "6β-HYDROXY-3α-O-(β-D-GLUCOPYRANOSYL)-5β-CHOLAN-24-OIC ACID" "MURIDEOXYCHOLIC ACID 3-GLUCOSIDE" "MDCA 3-GLUCOSIDE" "C30H50O9" 30.00 50.00 9.00 0.00 0.00 0.00 554 " \/\ (REF:199)" " モH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " カ カ カ H" " ユハ/レ/" " H O H ラ" " | HO H" " Glcpβ1" "199/" "207-210゚C(FROM EtOH-EtOAc)(199)" "199/" "cm-1 3406, 1652, 1077, 1023 (199)" "1H-NMR(CDCl3+20%CD3OD) 0.68(s,18-Me),0.93(d,J=6.3Hz,21-Me),1.10(s,19-Me), 3.66(brm,3β-H),3.71(m,6α-H), 4.41(d,J=7.8Hz,anomeric H) (199)""" "199/" "化学合成品" "bileaciPage156.html" "BA0157" 5.00 "6α-HYDROXY-3α-O-(β-D-GLUCOPYRANOSYL)-5α-CHOLAN-24-OIC ACID" "ALLOHYODEOXYCHOLIC ACID 3-GLUCOSIDE" "allo HDCA 3-GLUCOSIDE" "C30H50O9" 30.00 50.00 9.00 0.00 0.00 0.00 554 " \/\ (REF:199)" " モH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " カ カ カ H" " ユハ/ハ/" " H O H ラ" " | H OH" " Glcpβ1" "199/" "233-236゚C(FROM EtOH-ACETONE)(199)" "199/" "cm-1 3418, 1652, 1081, 1046 (199)" "1H-NMR(CDCl3+10%CD3OD) 0.64(s,18-Me),0.79(s,19-Me),0.92(d,J=6.0Hz,21-Me), (3β-and 6β-H overlapped with other signals), 4.31(d,J=8.0Hz,anomeric H) (199)""" "199/" "化学合成品" "bileaciPage157.html" "BA0158" 5.00 "6β-HYDROXY-3α-O-(β-D-GLUCOPYRANOSYL)-5α-CHOLAN-24-OIC ACID" "ALLOMURIDEOXYCHOLIC ACID 3-GLUCOSIDE" "allo MDCA 3-GLUCOSIDE" "C30H50O9" 30.00 50.00 9.00 0.00 0.00 0.00 554 " \/\ (REF:199)" " モH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " カ カ カ H" " ユハ/ハ/" " H O H ラ" " | HO H" " Glcpβ1" "199/" "206-209゚C(FROM EtOH-EtOAc)(199)" "199/" "cm-1 3358, 1715, 1081, 1044 (199)" "1H-NMR(CDCl3+10%CD3OD) 0.70(s,18-Me),0.93(d,J=6.0Hz,21-Me),1.00(s,19-Me), (6α-H overlapped with other signals),4.07(m,3β-H), 4.33(d,J=8.0Hz,anomeric H) (199)""" "199/" "化学合成品" "bileaciPage158.html" "BA0159" 5.00 "3α-HYDROXY-6α-O-(β-D-GLUCOPYRANURONOSYL)-5β-CHOLAN-24-OIC ACID" "HYODEOXYCHOLIC ACID 6-GLUCURONIDE" "HDCA 6-GLUCURONIDE" "C30H48O10" 30.00 48.00 10.00 0.00 0.00 0.00 568 " \/\ (REF:199)" " モH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " カ カ カ H" " ユハ/レ/" " H OH H ラ" " H O" " |" " GlcUpβ1" "199/" "222-225゚C(FROM MeOH-EtOAc)(199)" "199/" "cm-1 3405, 1638(s), 1034 (199)" "1H-NMR(CD3OD) 0.66(s,18-Me),0.93(s,19-Me),0.94(d,J=6.0Hz,21-Me), 3.59(brm,3β-H),4.10(brm,6β-H),4.35(d,J=7.5Hz,anomeric H) (199)" "199/" "化学合成品" "bileaciPage159.html" "BA0160" 5.00 "6α-HYDROXY-3α-O-(β-D-GLUCOPYRANURONOSYL)-5β-CHOLAN-24-OIC ACID" "HYODEOXYCHOLIC ACID 3-GLUCURONIDE" "HDCA 3-GLUCURONIDE" "C30H48O10" 30.00 48.00 10.00 0.00 0.00 0.00 568 " \/\ (REF:199)" " モH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " カ カ カ H" " ユハ/レ/" " H O H ラ" " | H OH" " GlcUpβ1" "199/" "244-246゚C(FROM MeOH-EtOAc)(199)" "199/" "cm-1 3387, 1619, 1043 (199)" "1H-NMR(CD3OD) 0.66(s,18-Me),0.93(s,19-Me),0.94(d,J=6.0Hz,21-Me),3.71(brm,3β-H),4.00(brm,6β-H),4.45(d,J=7.5Hz,anomeric H)" "199/" "化学合成品" "bileaciPage160.html" "BA0161" 5.00 "6β-HYDROXY-3α-O-(β-D-GLUCOPYRANURONOSYL)-5β-CHOLAN-24-OIC ACID" "MURIDEOXYCHOLIC ACID 3-GLUCURONIDE" "MDCA 3-GLUCURONIDE" "C30H48O10" 30.00 48.00 10.00 0.00 0.00 0.00 568 " \/\ (REF:199)" " モH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " カ カ カ H" " ユハ/レ/" " H O H ラ" " | HO H" " GlcUpβ1" "199/" "251-252゚C(FROM MeOH-EtOAc)(199)" "199/" "cm-1 3404, 1625, 1028 (199)" "1H-NMR(CDCl3) 0.69(s,18-Me),0.95(d,J=6.5Hz,21-Me),1.10(s,19-Me), 3.72(m,6α-H),3.77(brm,3β-H),4.44(d,J=8.0Hz,anomeric H)(199)" "199/" "化学合成品" "bileaciPage161.html" "BA0162" 5.00 "3α,7β-DIHYDROXY-24-NOR-5β-CHOLAN-23-NITRILE" "C23H37O2" 23.00 37.00 2.00 0.00 0.00 0.00 345 " (REF:200)" " \/\" " モH CN" " /\ヌ\" " オカスコ" " /\ヌ\/ナ" " オカ カ H" " ユハ/レ/ラ" " H OH H HO H" "200/" "228-229゚C(200)" "200/" "2247cm-1 (200)" "1H-NMR(CDCl3): 0.67(s,18-Me), 0.92(s,19-Me), 1.14(d,J=6.7Hz,21-Me), 2.29(m,22-CH2), 3.54(m,2H,3β-H and 7α-H) (200)" "200/" "bileaciPage162.html" "BA0163" 5.00 "3α,7α,12α-TRIHYDROXY-24-NOR-5β-CHOLAN-23-NITRILE" "C23H37O3N" 23.00 37.00 3.00 1.00 0.00 0.00 375 " (REF:200)" " H HO\/\" " メト モH CN" " /\ヌ\" " オカスコ" " /\ヌ\/ナ" " オカ カ H" " ユハ/レ/ラ" " H OH H H OH" "200/" "161-165゚C(200)" "200/" "2250cm-1 (200)" "1H-NMR(CDCl3): 0.69(s,18-Me), 0.88(s,19-Me), 1.22(d,J=5.3Hz,21-Me), 3.45(m,3β-H), 3.83(bs,7β-H), 3.93(bs,12β-H)(200)" "200/" "bileaciPage163.html" "BA0164" 5.00 "3α,7β-DIHYDROXY-24-NOR-5β-CHOLAN-23-AMINE" "NORURSODEOXYCHOLANYLAMINE" "C23H41O2N" 23.00 41.00 2.00 1.00 0.00 0.00 363 " (REF:200)" " \/\" " モH NH2" " /\ヌ\" " オカスコ" " /\ヌ\/ナ" " オカ カ H" " ユハ/レ/ラ" " H OH H HO H" "200/" "139-141゚C(200)" "12μM(pH=12 at 25゚C) (200)" "200/" "1654cm-1 (200)" "1H-NMR[(CD3)2SO]: 0.61(s,18-Me), 0.87(d,J=11.31Hz,19-Me and 21-Me), 2.49(m,22-CH2), 3.30(b,23-NH2)(200)" "200/" "bileaciPage164.html" "BA0165" 5.00 "3α,7α,12α-TRIHYDROXY-24-NOR-5β-CHOLAN-23-AMINE" "NORCHOLANYLAMINE" "C23H41O3N" 23.00 41.00 3.00 1.00 0.00 0.00 379 " (REF:200)" " H HO\/\" " メト モH NH2" " /\ヌ\" " オカスコ" " /\ヌ\/ナ" " オカ カ H" " ユハ/レ/ラ" " H OH H H OH" "200/" "124-127゚C(200)" "3000μM(pH=12 at 25゚C) (200)" "200/" "1654cm-1 (200)" "1H-NMR[(CD3)2SO]: 0.59(s,18-Me), 0.81(s,19-Me), 0.93(t,21-Me) (200)" "200/" "bileaciPage165.html" "BA0166" 5.00 "N-(3α,7β-DIHYDROXY-24-NOR-5β-CHOLANYL)SUCCINAMIC ACID" "SUCCINYLNORURSODEOXYCHOLANYLAMIDE" "C27H45O5N" 27.00 45.00 5.00 1.00 0.00 0.00 463 " (REF:200)" " \/\" " モH NHCOCH2CH2COOH" " /\ヌ\" " オカスコ" " /\ヌ\/ナ" " オカ カ H" " ユハ/レ/ラ" " H OH H HO H" "200/" "103-105゚C(200)" "172μM(pH=1.0 at 25゚C)(200), pKa=4.52(in Me2SO at 25゚C)(200), CMC=6-7mM(at 25゚C)(200)" "200/" "cm-1 1725, 1652, 1560 (200)" "1H-NMR[(CD3)2SO]: 0.61(s,18-Me), 0.89(d,J=6.7Hz,19-Me and 21-Me), 2.32(m,25-CH2 and 26-CH2), 7.75(t,23-NH)(200)" "200/" "THE AMIDE BOND IS REVERSED FROM ITS NORMAL CONFIGURATION.(200)" "200/" "bileaciPage166.html" "BA0167" 5.00 "N-(3α,7α12α-TRIHYDROXY-24-NOR-5β-CHOLANY)-SUCCINAMIC ACID" "SUCCINYLNORCHOLANYLAMIDE" "C27H45O5N" 27.00 45.00 5.00 1.00 0.00 0.00 463 " (REF:200)" " H HO\/\" " メト モH NHCOCH2CH2COOH" " /\ヌ\" " オカスコ" " /\ヌ\/ナ" " オカ カ H" " ユハ/レ/ラ" " H OH H H OH" "200/" "178-180゚C(200)" "260μM(pH=1.0 at 25゚C)(200), pKa=4.62(in Me2SO at 25゚C)(200),CMC=10-11mM(at 25゚C)(200)" "200/" "1656cm-1 (200)" "1H-NMR[(CD3)2SO]: 0.59(s,18-Me), 0.81(s,19-Me), 0.95(d,J=6.7Hz,21-Me), 2.34(m,25-CH2 and 26-CH2), 7.74(t,23-NH)(200)" "200/" "THE AMIDE BOND IS REVERSED FROM ITS NORMAL CONFIGURATION.(200)" "bileaciPage167.html" "BA0168" 5.00 "7α-HYDROXY-3α-O-(β-D-GLUCOPYRANOSYL)-5β-CHOLAN-24-OIC ACID" "CHENODEOXYCHOLIC ACID 3-GLUCOSIDE" "CDCA 3-GLUCOSIDE" "C30H50O9" 30.00 50.00 9.00 0.00 0.00 0.00 554 " \/\ (REF:201)" " モH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " CH2OH オカ カ H" " \ Hユハ/レ/ラ" " HOス\_O O H H OH" " HOカシ ォ" " ェャシ" " OH" "201/" "146-148゚C(201)" "201/" "3388, 1716, 1074, 1044cm-1 (201)" "1H-NMR(CDCl3):0.67(18-Me), 0.92(19-Me), 0.95(d,J=6.5Hz,21-Me), 3.56(3β-H),3.83(7β-H), 4.40(d,J=7.5Hz,C'1-H)(201)" "201/" "bileaciPage168.html" "BA0169" 5.00 "12α-HYDROXY-3α-O-(β-D-GLUCOPYRANOSYL)-5β-CHOLAN-24-OIC ACID" "DEOXYCHOLIC ACID 3-GLUCOSIDE" "DCA 3-GLUCOSIDE" "C30H50O9" 30.00 50.00 9.00 0.00 0.00 0.00 554 " H HO\/\ (REF:201)" " メト モH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " CH2OH オカ カ H" " \ Hユハ/レ/" " HOス\_O O H" " HOカシ ォ" " ェャシ" " OH" "201/" "192-194゚C(201)" "201/" "3406, 1709, 1076, 1037cm-1 (201)" "1H-NMR(CDCl3):0.61(18-Me), 0.83(19-Me), 0.91(d,J=6.5Hz,21-Me), 3.61(3β-H),3.87(12β-H), 4.31(d,J=7.5Hz,C'1-H)(201)" "201/" "bileaciPage169.html" "BA0170" 5.00 "7α,12α-DIHYDROXY-3α-O-(β-D-GLUCOPYRANOSYL)-5β-CHOLAN-24-OIC ACID" "CHOLIC ACID 3-GLUCOSIDE" "CA 3-GLUCOSIDE" "C30H50O10" 30.00 50.00 10.00 0.00 0.00 0.00 570 " H HO\/\ (REF:201)" " メト モH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " CH2OH オカ カ H" " \ Hユハ/レ/ラ" " HOス\_O O H H OH" " HOカシ ォ" " ェャシ" " OH" "201/" "164-166゚C(201)" "201/" "3396, 1703, 1075, 1036cm-1 (201)" "1H-NMR(CDCl3):0.70(18-Me), 0.91(19-Me), 1.00(d,J=6.5Hz,21-Me), 3.55(3β-H),3.84(7β-H), 3.96(12β-H), 4.39(d,J=7.5Hz,C'1-H)(201)" "201/" "bileaciPage170.html" "BA0171" 5.00 "3α-O-(β-D-GLUCOPYRANOSYL)-5β-CHOLAN-24-OIC ACID" "LITHOCHOLIC ACID 3-GLUCOSIDE" "LCA 3-GLUCOSIDE" "C30H50O8" 30.00 50.00 8.00 0.00 0.00 0.00 538 " \/\ (REF:201)" " モH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " CH2OH オカ カ H" " \ Hユハ/レ/" " HOス\_O O H" " HOカシ ォ" " ェャシ" " OH" "201/" "251-255゚C(201)" "201/" "3424, 1652, 1558, 1033cm-1 (201)" "1H-NMR(CDCl3):0.65(18-Me), 0.93(19-Me), 0.93(d,J=5.0Hz,21-Me), 4.42(d,J=7.5Hz,C'1-H)(201)" "201/" "bileaciPage171.html" "BA0172" 5.00 "7β-HYDROXY-3α-O-(β-D-GLUCOPYRANOSYL)-5β-CHOLAN-24-OIC ACID" "URSODEOXYCHOLIC ACID 3-GLUCOSIDE" "UDCA 3-GLUCOSIDE" "C30H50O9" 30.00 50.00 9.00 0.00 0.00 0.00 554 " \/\ (REF:201)" " モH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " CH2OH オカ カ H" " \ Hユハ/レ/ラ" " HOス\_O O H HO H" " HOカシ ォ" " ェャシ" " OH" "201/" "214-216゚C(201)" "201/" "3387, 1711, 1078, 1023cm-1 (201)" "1H-NMR(CD3OD):0.70(18-Me), 0.96(19-Me), 0.96(d,J=7.0Hz,21-Me), 3.50(3β-H),3.71(7α-H), 4.40(d,J=8.0Hz,C'1-H)(201)" "201/" "bileaciPage172.html" "BA0173" 5.00 "(22E)-3α,7α,12α-TRIHYDROXY-5β-CHOL-22-EN-24-OIC ACID" "Δ22-CHOLIC ACID" "Δ22-CA" "C24H38O5" 24.00 38.00 5.00 0.00 0.00 0.00 406 " (REF:202)" " H HO\/ケ" " メト モH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " オカ カ H" " ユハ/レ/ラ" " H OH H H OH" "202/" "181-183゚C (Me ESTER)(202)" "202/" "Me ESTER 3400cm-1(-OH), 1730cm-1(-COOMe), 1650cm-1(Δ22) (202)" "1H-NMR(PYRIDINE-d5) Me ESTER : 0.78(s,18-Me), 0.97(s,19-Me), 1.28(d,J=6Hz,21-Me), 3.65(s,COOMe), 3.60(m,3β-H), 3.98(m,7β-H), 4.09(m,12β-H), 5.82(d,J=15.3Hz,23-H), 6.95(dd,J=15.3 and 7.2Hz,22H)(202)""" "Me-TMS m/z(RELATIVE INTENSITY) : 636(M+,4%), 621(M-15,7%), 546(M-90,14%), 456(M-2x90,39%), 366(M-3x90,32%), 253(M-SIDE CHAIN-3x90,100%)(202)" "202/" "bileaciPage173.html" "BA0174" 5.00 "(22E)-3α,12α-DIHYDROXY-5β-CHOL-22-EN-24-OIC ACID" "Δ22-DEOXYCHOLIC ACID" "Δ22-DCA" "C24H38O4" 24.00 38.00 4.00 0.00 0.00 0.00 390 " (REF:202)" " H HO\/ケ" " メト モH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " オカ カ H" " ユハ/レ/" " H OH H" "202/" "98-100゚C (Me ESTER)(202)" "202/" "Me ESTER 3400cm-1(-OH), 1720cm-1(-COOMe), 1640cm-1(Δ22) (202)" "1H-NMR(PYRIDINE-d5) Me ESTER :0.73(s,18-Me), 0.94(s,19-Me), 1.23(d,J=6Hz,21-Me), 3.65(s,COOMe), 3.80(m,3β-H), 4.07(m,12β-H), 5.85(d,J=15.3Hz,23-H), 6.98(dd,J=15.3 and 7.2Hz,22-H)(202)""" "Me-TMS m/z(RELATIVE INTENSITY) : 548(M+,13%), 533(M-15,19%), 458(M-90,8%), 368(M-2x90,11%),255(M-SIDE CHAIN-2x90,100%)(202)" "202/" "bileaciPage174.html" "BA0175" 5.00 "(22E)-3α,7α-DIHYDROXY-5β-CHOL-22-EN-24-OIC ACID" "Δ22-CHENODEOXYCHOLIC ACID" "Δ22-CDCA" "C24H38O4" 24.00 38.00 4.00 0.00 0.00 0.00 390 " (REF:202)" " \/ケ" " モH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " オカ カ H" " ユハ/レ/ラ" " H OH H H OH" "202/" "Me ESTER 3400cm-1(-OH), 1730cm-1(-COOMe), 1650cm-1(Δ22) (202)" "1H-NMR(PYRIDINE-d5) Me ESTER: 0.68(s,18-Me), 0.95(s,19-Me), 1.03(d,J=6Hz,21-Me), 3.65(s,COOMe), 3.60(m,3β-H), 3.93(m,7β-H), 5.82(d,J=15.3Hz,23-H), 6.89(dd,J=15.3 and 7.2Hz,22-H)(202)""" "Me-TMS m/z(RELATIVE INTENSITY) : 458(M-90,4%), 368(M-2x90,100%), 353(M-2x90-15,15%), 255(M-SIDE CHAIN-2x90,32%)(202)" "202/" "bileaciPage175.html" "BA0176" 5.00 "(22E)-3α,7β-DIHYDROXY-5β-CHOL-22-EN-24-OIC ACID" "Δ22-URSODEOXYCHOLIC ACID" "Δ22-UDCA" "C24H38O4" 24.00 38.00 4.00 0.00 0.00 0.00 390 " (REF:202)" " \/ケ" " モH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " オカ カ H" " ユハ/レ/ラ" " H OH H HO H" "202/" "229-230゚C(Me ESTER)(202)" "202/" "Me ESTER 3400cm-1(-OH), 1730cm-1(-COOMe), 1650cm-1(Δ22) (202)" "1H-NMR(PYRIDINE-d5) Me ESTER: 0.69(s,18-Me), 0.95(s,19-Me), 1.06(d,J=6Hz,21-Me), 3.65(s,COOMe), 3.75(m,3β-H and 7α-H), 5.85(d,J=15.3Hz,23-H), 6.95(dd,J=15.3 and 7.2Hz,22-H)(202)""" "Me-TMS m/z(RELATIVE INTENSITY) : 548(M,13%), 533(M-15,19%), 458(M-90,8%), 368(M-2x90,11%), 255(M-SIDE CHAIN-2x90,100%)(202)""" "202/" "UDCAを静注あるいは経口投与により,ラットの血しょう,胆汁,腸内および肝臓中に存在することを初めて同定,確認した。(203)" "(203)" "bileaciPage176.html" "BA0177" 5.00 "3β-AZIDO-7α,12α-DIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H39O4N3" 24.00 39.00 4.00 3.00 0.00 0.00 433 " (REF:204)" " H HO\/ケ" " メト モH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " オカ カ H" " ユハ/レ/ラ" " N3 H H H OH" "204/" "203-205゚C(204)" "204/" "λMeOH/MAX : 286nm(ε=52),223nm(ε=265) (204)" "2105cm-1(C-N3), 1720cm-1(C=O) (204)" "1H-NMR(DMSO-d6/CDCl3=3:1): 0.60(s,18-Me), 0.88(s,19-Me), 0.92(d,J=5Hz,21-Me), 2.10(m,23-CH2), 3.60(s,b,7β-H), 3.76(s,b,12β-H), 3.85(s,b,3α-H)(204)""" "Me-TMS m/z(RELATIVE INTENSITY) : 405(M-N2), 397(M-2xH2O), 390(M-HN3), 372(M-HN3-H2O), 354(M-HN3-2xH2O)(204)" "204/" "bileaciPage177.html" "BA0178" 5.00 "3β-AZIDO-12-OXO-7α-HYDROXY-5β-CHOLAN-24-OIC ACID" "C24H37O4N3" 24.00 37.00 4.00 3.00 0.00 0.00 431 " (REF:204)" " O \/ケ" " セ モH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " オカ カ H" " ユハ/レ/ラ" " N3 H H H OH" "204/" "125-130゚C(204)" "204/" "λMeOH/MAX : 285nm(ε=167),221nm(ε=321) (204)" "2100cm-1(C-N3), 1700cm-1(C=O) (204)" "1H-NMR(CDCl3) : 0.82(s,21-Me), 1.00(s,18-Me and 19-Me), 2.27(m,23-CH2), 3.90(m,b,3α-H and 7β-H)(204)" "m/z : 431(M+), 413(M-H2O), 330(M-SIDE CHAIN), 312(M-SIDE CHAIN-H2O), 290(BASE PEAK)(204)" "204/" "bileaciPage178.html" "BA0179" 5.00 "11ε-AZIDO-12-OXO-3α,7α-DIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H37O5N3" 24.00 37.00 5.00 3.00 0.00 0.00 447 " (REF:204)" " O \/\" " N3 セ モH オ" " ワ/\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " オカ カ H" " ユハ/レ/ラ" " H OH H H OH" "204/" "135-138゚C (DECOMPOSITION)(204)" "204/" "λMeOH/MAX : 288nm(ε=1237),226nm(ε=1134) (204)" "2105cm-1(C-N3), 1710cm-1(C=O) (204)" "1H-NMR(DMSO-d6/CDCl3=3:1): 0.80(d,J=5Hz,21-Me), 1.00(s,19-Me), 1.08(s,18-Me), 2.13(m,23-CH2), 3.30(m,3β-H), 3.69(m,7β-H), 4.23(m,11-CH)(204)""" "m/z : 447(M+), 419(M-N2), 404(M-HN3), 401(M-N2-H2O), 386(M-HN3-H2O), 368(M-HN3-2xH2O), 318(M-N2-SIDE CHAIN), 300(M-N2-H2O-SIDE CHAIN)(204)" "204/" "bileaciPage179.html" "BA0180" 5.00 "7,7-AZI-3α,12α-DIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H38O4N2" 24.00 38.00 4.00 2.00 0.00 0.00 418 " (REF:204)" " H HO\/\" " メト モH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " オカ カス H" " ユハ/レャ N" " H OH H Nキ" "204/" "135-140゚C (DECOMPOSITION)(204)" "204/" "λMeOH/MAX nm(ε): 367(52), 350(57), 260(146), 232(239) (204)" "1710cm-1(C=O), 1570cm-1(C-N2) (204)" "1H-NMR(DMSO-d6):0.55(s,18-Me), 0.95(s,b,19-Me and 21-Me), 2.10(m,23-CH2), 3.30(m,b,3β-H), 3.73(m,12β-H)(204)" "m/z : 372(M-N2-H2O), 354(M-N2-2xH2O), 271(M-N2-H2O-SIDE CHAIN), 253(M-N2-2xH2O-SIDE CHAIN,BASE PEAK)(204)" "204/" "bileaciPage180.html" "BA0181" 5.00 "7,7-AZI-3α-HYDROXY-5β-CHOLAN-24-OIC ACID" "C24H38O3N2" 24.00 38.00 3.00 2.00 0.00 0.00 402 " (REF:205)" " \/\" " モH オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/ナ" " オカ カス H" " ユハ/レャ N" " H OH H Nキ" "205/" "145゚C (DECOMPOSITION)(205)" "205/" "λMeOH/MAX nm(ε): 207(383), 352(89), 368(80) (205)" "1H-NMR(CD3OD) : 0.63(s,18-Me), 0.92(d,J=7Hz,21-Me), 1.04(s,19-Me), 3.50(m,3β-H) (205)" "m/z : 374(M-N2), 356(M-N2-H2O), 255(M-N2-H2O-SIDE CHAIN)(205)" "205/" "bileaciPage181.html" "BA0182" 5.00 "5α-CHOLANE-3α,7α,12α,24-TETROL" "5α-PETROMYZONOL" "C24H42O4" 24.00 42.00 4.00 0.00 0.00 0.00 394 " HO ナ/\/\ (REF:001)" " ツ | OH" " /ェ/\" " オ | コ" " /\ォ\/シ" " | | |" " ト\/ハ/ナ" " HO H OH" "001/" "224-226 AND 240-241 001)" "[α]25/D=+27.5 (001)" "001/" "(001)" "(001)" "(001)" "001/" "ヤツメウナギ(PETROMYZON MARINUS)胆汁(001) オーストラリア産肺魚(NEOCERATODUS FORSTERI)胆汁(002) アフリカ産肺魚(PROTOPTERUS AETHIOPICUS)胆汁(002)" "001/002/" "bileaciPage182.html" "BA0183" 5.00 "26,27-DINOR-5β-CHOLESTANE-3α,7α,12α,24,25-PENTOL" "C25H44O5" 25.00 44.00 5.00 0.00 0.00 0.00 424 " OH" " | OH (REF:003/004)" " HO ナ/\/\/" " ツ |" " /\ォ\" " | | コ" " /ェ/\/シ" " | | |" " ト\ャ\/ナ" " HO H OH" "003/004/" "188(004)" "004/" "(004)" "TMS誘導体で測定(003)" "003/004/" "胆汁うっ滞症患者胆汁(003)" "003/" "bileaciPage183.html" "BA0184" 5.00 "5α-CHOLESTANE-3α,7α,26-TRIOL" "3-EPI-16-DEOXYMYXINOL" "C27H48O3" 27.00 48.00 3.00 0.00 0.00 0.00 420 " | (REF:005)" " ナ/\/\/\" " | | OH" " /\ォ\" " | | コ" " /ェ/\/シ" " | | |" " ト\/ハ/ナ" " HO H OH" "005/" "187-188 005)" "005/" "(005)" "(005)" "005/" "ヌタウナギ(HEPTATRETUS BURGERI)胆汁(005)" "005/" "bileaciPage184.html" "BA0185" 5.00 "5α-CHOLESTANE-3α,7α,16α,26-TETROL" "3-EPIMYXINOL" "C27H48O4" 27.00 48.00 4.00 0.00 0.00 0.00 436 " (REF:005)" " ナ/\/\/\" " | OH | OH" " /\ォ\ト" " | | コ" " /ェ/\/シ" " | | |" " ト\/ハ/ナ" " HO H OH" "005/" "178(005)" "005/" "(005)" "(005)" "005/" "ヌタウナギ(HEPATRETUS BURGERI)胆汁(005)" "005/" "bileaciPage185.html" "BA0186" 5.00 "5β-CHOLESTANE-3α,6β,7α,25,26-PENTOL" "α-TRICHECHOL" "C27H48O5" 27.00 48.00 5.00 0.00 0.00 0.00 452 " ナ/\/\/\ (REF:006/007)" " | ・ OH" " /\ォ\ OH" " | カスコ" " /ェ/\/" " | | |" " ト\ャ\/ナ" " HO H| OH" " OH" "006/007/" "126-129(007)" "007" "(007)" "(006/007)" "(006/007)" "006/007/" "西インド諸島マナティー(TROCHECHUS MANATUS LATIROSTRIS)胆汁(006)" "006/" "bileaciPage186.html" "BA0187" 5.00 "5β-CHOLESTANE-2β,3α,7α,12α,26-PENTOL" "ARAPAIMOL-A" "C27H48O5" 27.00 48.00 5.00 0.00 0.00 0.00 452 " (REF:008)" " HO ナ/\/\/\" " テ | | OH" " /\ォ\" " HO | | コ" " \/ェ/\/シ" " | | |" " ト\ャ\/ナ" " HO H OH" "008/" "216-220(008)" "[α]25/D=+33.9±2 (008)" "008/" "(008)" "(008)" "(008)" "008/" "淡水魚アラパイマ(ARAPAIMA GIGAS)胆汁(008) 西ナイジェリア産アカガエル科のカエル(CARDIOGLOSSA LEUCOMYSTAX)胆汁((009) 西ナイジェリア産アオガエル科のカエル(HYPEROLIUS FUSCIVENTRIS BURTONI, HYPEROLOUS GUTTULATUS" "008/009/" "bileaciPage187.html" "BA0188" 5.00 "5β-CHOLESTANE-2β,3α,7α,12α,26,27-HEXOL" "ARAPAIMOL-B" "C27H48O6" 27.00 48.00 6.00 0.00 0.00 0.00 468 " (REF:063)" " HO ナ/\/\/\" " テ | | OH" " /\ォ\ \" " HO | | コ OH" " \/ェ/\/シ" " | | |" " ト\ャ\/ナ" " HO H OH" "063/" "228-230(008)" "[α]25/D=+29.6±2 (008)" "008/" "(008)" "(008)" "(008)" "008/" "淡水魚アラパイマ(ARAPAIMA GIGAS)胆汁(008)" "008/" "bileaciPage188.html" "BA0189" 5.00 "5α-CHOLESTANE-3α,7α,12α,25,26,27-HEXOL" "5α-DERMOPHOL" "C27H48O6" 27.00 48.00 6.00 0.00 0.00 0.00 468 " (REF:010/011)" " HO ナ/\/\/\" " テ | ノ OH" " /\ォ\ \OH" " | | コ OH" " /ェ/\/シ" " | | |" " ト\ヒ\/ナ" " HO H OH" "010/011/" "262-263(011)" "011/" "(010/011)" "(011)" "誘導体として測定(010/011)" "010/011/" "イモリ(DIEMYCTYLUS PYRRHOGASTER)胆汁(010) コンゴーイール(AMPHIUMA MEANS)胆汁(010) オウサンショウウオ(MEGALOBACTRACHUS JAPONICUS)胆汁(010)" "010/" "bileaciPage189.html" "BA0190" 5.00 "5β-CHOLESTANE-3α,7α,12α,25,26,27-HEXOL" "5β-DERMOPHOL" "C27H48O6" 27.00 48.00 6.00 0.00 0.00 0.00 468 " (REF:010)" " HO ナ/\/\/\" " テ | ノ OH" " /\ォ\ \OH" " | | コ OH" " /ェ/\/シ" " | | |" " ト\/ノ/ナ" " HO H OH" "010/" "166-169(010)" "010/" "(010)" "(010)" "誘導体として測定(010)" "010/" "アシナシイモリ(DERMOPHIS MEXICANUS)胆汁(010) ヒキガエル(BUFO B. FORMOSUS)胆汁(010)" "010/" "bileaciPage190.html" "BA0191" 5.00 "5α-CHOLESTANE-3α,7α,12α,26-TETROL" "27-DEOXY-5α-CYPRINOL" "C27H48O4" 27.00 48.00 4.00 0.00 0.00 0.00 436 " (REF:012/013)" " HO ナ/\/\/\" " テ | | OH" " /\ォ\" " | | コ" " /ェ/\/シ" " | | |" " ト\/ハ/ナ" " HO H OH" "012/013/" "232(012/013)" "[α]23/D=+39゚(C=0.2,ETHANOL) (012)" "012/013/" "(013)" "013/" "コイ(CYPRINUS CARPIO)胆汁(012), 日本産ヒキガエル(BUFO B.FORMOSUS)胆汁(009/ 014), ヨーロッパ産ヒキガエル(BUFO B. VULGARIS)胆汁(009),アカガエル科のカエル (ARTHROLEPTIS, HYLARANA ALBOLABRIS, DICROGLOSSIS OCCIPTALIS, PTYCHADENAAEQUIPLICATA, PTYCHADENA MASCA" "012/009/014/002/015/016/" "bileaciPage191.html" "BA0192" 5.00 "5α-CHOLESTANE-3β,7α,12α,26,27-PENTOL" "LATIMEROL" "C27H48O5" 27.00 48.00 5.00 0.00 0.00 0.00 452 " (REF:017)" " HO ナ/\/\/\" " テ | | OH" " /\ォ\ \" " | | コ OH" " /ェ/\/シ" " | | |" " /\/ハ/ナ" " HO H OH" "017/" "235-236(017)" "[α]25/D=+33±2゚(C=1.1,ETHANOL)(017)" "017/" "(017)" "TMS誘導体として測定(018) (018)" "017/018/" "シーラカンス(LATIMERIA CHALUMAE)胆汁(017/002/018)" "017/002/018/" "bileaciPage192.html" "BA0193" 5.00 "5α-CHOLESTANE-3β,7α,16α,26-TETROL" "MYXINOL" "C27H48O4" 27.00 48.00 4.00 0.00 0.00 0.00 436 " (REF:019/020/021)" " ナ/\/\/\" " | OH | OH" " /\ォ\ト" " | | コ" " /ェ/\/シ" " | | |" " /\/ハ/ナ" " HO H OH" "019/020/021/" "204-206(005/019)" "[α]/D=-15±2 (C=1.2,ETHANOL) (019)" "005/019/" "(019/005)" "(020/021/005)" "(020/021)" "019/005/020/021/" "大西洋産メクラウナギ(EPTATRETUS STOUTII)胆汁(019) カリフォルニヤ産メクラウナギ(MYXINE GLUTINOSA)胆汁(019)" "019/005/" "bileaciPage193.html" "BA0194" 5.00 "5α-CHOLESTANE-3β,7α,26-TRIOL" "16-DEOXYMYXINOL" "C27H48O3" 27.00 48.00 3.00 0.00 0.00 0.00 420 " (REF:022/023/024)" " ナ/\/\/\" " | | OH" " /\ォ\" " | | コ" " /ェ/\/シ" " | | |" " /\/ハ/ナ" " HO H OH" "022/023/024/" "218-219(022) OR 206-207(024)" "[α]/D=+13±3 (C=0.92,ETHANOL) (022)" "022/024/" "(022)" "(023/005)" "(023/024)" "022/023/005/024/" "大西洋産メクラウナギ(EPTATRUS STOUTII)胆汁(022) カリフォルニヤ産メクラウナギ(MYXINE GLUTINOSA )胆汁(022) ヌタウナギ(HEPTATRETUS BURGERI)胆汁(005)" "022/005/" "bileaciPage194.html" "BA0195" 5.00 "5α-CHOLESTANE-3β,7α,12α,25,26-PENTOL" "3-EPI-5α-BUFOL" "C27H48O4" 27.00 48.00 5.00 0.00 0.00 0.00 452 " (REF:018)" " HO ナ/\/\/\" " ツ | ノ OH" " /\ォ\ OH" " | | コ" " /ェ/\/シ" " | | |" " /\/ハ/ナ" " HO H OH" "018/" "253(018)" "018/" "(018)" "(018)" "TMS誘導体として測定 (018)" "018/" "シーラカンス(LATIMERIA CHALUMNAE)胆汁(018)" "018/" "bileaciPage195.html" "BA0196" 5.00 "5α-CHOLESTANE-3α,7α,12α,24-TETROL" "26-DEOXY-5α-CHIMAEROL" "C27H48O4" 27.00 48.00 4.00 0.00 0.00 0.00 436 " OH" " オ (REF:025)" " HO ナ/\/\/" " ツ | オ" " /\ォ\" " | | コ" " /ェ/\/シ" " | | |" " ト\/ハ/ナ" " HO H OH" "025/" "NOT REPORTED(025)" "025/" "(025)" "TMS誘導体として測定(025)" "025/" "ウサギ胆汁(025),オーストラリヤ産肺魚(NEOCERATODUS FORSTERI)胆汁(002) コイ科のサカナ(BARBUS TRACHYPTERUS)胆汁(015), コイ科のサカナ(VARICORHINUS UPEMBENSIS, LABEO CF.CLARIENSIS)胆汁(015), ヒト胆汁(026),CEREBROTENDIOUS XANTHOMATOSIS患者胆汁(027)" "002/015/025/026/027/" "bileaciPage196.html" "BA0197" 5.00 "5β-CHOLESTANE-3α,7α,12α,26-TETROL" "27-DEOXY-5β-CYPRINOL" "C27H48O4" 27.00 48.00 4.00 0.00 0.00 0.00 436 " (REF:028/029)" " HO ナ/\/\/\" " ツ | オ OH" " /\ォ\" " | | コ" " /ェ/\/シ" " | | |" " ト\/ノ/ナ" " HO H OH" "028/029/" "200-201(028/029)" "[α]23/D=+36.1±1゚(25R体),+25±2゚(25S体)(029)" "028/029/" "DMES誘導体として測定(031/032)" "031/032/" "カエル19種(XENOPUS MULLERI, BUFO B. FORMOSUS, BUFO B. VULGARIS, BUFO MACULATUS,BUFO MARINUS,BUFO REGULARIS,ARTHROLEPTIS,CARDIOGLOSSA LEUCOMYSTAX,DICROGLOSSUS OCCIPITAILIS,PTYCHADENA AEQUIPLICATA,PTYCHADENA LONGIROSTRIS,PTYCHADENA MACCARTHYENSIS,PTY" "009/030/031/026/032/" "bileaciPage197.html" "BA0198" 5.00 "3α,7α,12α-TRIHYDROXY-27-NOR-5α-CHOLESTAN-24-ONE" "C26H44O4" 26.00 44.00 4.00 0.00 0.00 0.00 420 " O" " ‖ (REF:033/034)" " HO ナ/\/\/" " ツ |" " /\ォ\" " | | コ" " /ェ/\/シ" " | | |" " ト\/ハ/ナ" " HO H OH" "033/034/" "NOT REPORTED(034)" "034/" "(033)" "TMS誘導体として測定(033)" "033/" "ウシガエル(RANA CATESBEIANA)胆汁(033)" "033/" "bileaciPage198.html" "BA0199" 5.00 "3α,7α,12α-TRIHYDROXY-27-NOR-5β-CHOLESTAN-24-ONE" "C26H44O4" 26.00 44.00 4.00 0.00 0.00 0.00 420 " O" " ‖ (REF:033/034)" " HO ナ/\/\/" " ツ |" " /\ォ\" " | | コ" " /ェ/\/シ" " | | |" " ト\/ノ/ナ" " HO H OH" "033/034/" "NOT REPORTED(034)" "034/" "(033)" "TMS誘導体として測定(033)" "033/" "ウシガエル(RANA CATESBEIANA)胆汁(033),ヒト胆汁(026)" "026/033/" "bileaciPage199.html" "BA0200" 5.00 "5β-CHOLANE-3α,7α,12α,24-TETROL" "5β-PETROMYZONOL" "C24H42O4" 24.00 42.00 4.00 0.00 0.00 0.00 394 " (REF:035)" " HO ナ/\/\" " ツ | OH" " /\ォ\" " | | コ" " /ェ/\/シ" " | | |" " ト\/ノ/ナ" " HO H OH" "035/" "234.5-235.5(035)" "035/" "(035)" "(035)" "035/" "アフリカ産肺魚( PROTOPTERUS AETHIOPICUS ) 胆汁(002),ヒト 胆汁(026)" "002/026/" "bileaciPage200.html" "BA0201" 5.00 "3α,7α,12α-TRIHYDROXY-26,27-DINOR-5β-CHOLESTANE-24-ONE" "C25H42O4" 25.00 42.00 4.00 0.00 0.00 0.00 406 " O" " ‖ (REF:003/036)" " HO ナ/\/\" " ツ |" " /\ォ\" " | | コ" " /ェ/\/シ" " | | |" " ト\/ノ/ナ" " HO H OH" "003/036/" "166-168(036)" "036/" "TMS誘導体として測定(003)" "003/" "ある胆汁うっ滞症患者 胆汁(003)" "003/" "bileaciPage201.html" "BA0202" 5.00 "5α-CHOLESTANE-3α,7α,12α,25,26-PENTOL" "5α-BUFOL" "C27H48O5" 27.00 48.00 5.00 0.00 0.00 0.00 452 " (REF:037)" " HO ナ/\/\/\" " ツ | ノ OH" " /\ォ\ OH" " | | コ" " /ェ/\/シ" " | | |" " ト\/ハ/ナ" " HO H OH" "037/" "241( 037)" "037/" "(037)" "037/" "イモリ(DIEMYCTYLUS PHYRRHOGASTER)胆汁(037),コンゴーイール(AMPHIUMA MEANS) 胆汁(010), アカガエル科のカエル(HYLARANA ALBOLABRIS, PTYCHADENA MASCARENI- ENSIS, PTYCHADENA TAENIOSCELIS, RANA GALAMAMENSIS)胆汁(009)シーラカンス(LATIMERIA CHALUMNAE)胆汁(002)," "037/010/009/002/030/" "bileaciPage202.html" "BA0203" 5.00 "5β-CHOLESTANE-3α,7α,12α,25,26-PENTOL" "5β-BUFOL" "C27H48O5" 27.00 48.00 5.00 0.00 0.00 0.00 452 " (REF:038/039)" " HO ナ/\/\/\" " ツ | ノ OH" " /\ォ\ OH" " | | コ" " /ェ/\/シ" " | | |" " ト\/ノ/ナ" " HO H OH" "038/039/" "178.5(038/039)" "[α]30/D=+38 (038)" "038/039/" "(038/039)" "(035)" "(040/050)" "035/038/039/040/050/" "ニホンヒキガエル(BUFO B.FORMOSUS)胆汁(038/009/010/035), ヌマガエル(RANA LIMNOCHARIS)胆汁(040),各種カエル(DISCOGLOSSUS PICTUS, BUFO B.VULGARIS, BUFO MACULATUS, BUFO MARINUS, BUFO REGULARIS, ARTHROLETIS POECILONOTUS,DICROGLOSSUS OCCIPITALIS, PTYCHAD" "038/009/010/035/040/025/030/051/052/026/053/027/032/054/055/056/" "bileaciPage203.html" "BA0204" 5.00 "27-NOR-5β-CHOLESTANE-3α,7α,12α,24,26-PENTOL" "5β-RANOL" "C26H46O5" 26.00 46.00 5.00 0.00 0.00 0.00 438 " OH" " チ (REF:041/042/043)" " HO ナ/\/\/\" " ツ | OH" " /\ォ\" " | | コ" " /ェ/\/シ" " | | |" " ト\/ノ/ナ (C24位の絶対配置はRと決定(042/043))" " HO H OH" "041/042/043/" "189 (041) OR 195.5-196.5 (042) OR 192 (034)" "[α]/D=+30゚(C=1.02,METHANOL)(042)" "034/041/042/" "(041/042)" "(041/042)" "041/042/" "ウシガエル(RANA CATESBEIANA)胆汁(041/042/034) スズガエル科のカエル(DISCOGLOSSUS PICTUS)胆汁(009) アカガエル科のカエル(ARTHROLEPITIS POECILONOTUS, AUBRIA SUBSIGILLATA, PTYCHADENA AEQUIPLICATA ,RANA PIPIENS)胆汁(009) アマガエル(HYLA ARBOREA JA" "041/042/009/040/030/" "bileaciPage204.html" "BA0205" 5.00 "27-NOR-5α-CHOLESTANE-3α,7α,12α,24,26-PENTOL" "5α-RANOL" "C26H46O5" 26.00 46.00 5.00 0.00 0.00 0.00 438 " OH" " チ (REF:044/045)" " HO ナ/\/\/\" " ツ | OH" " /\ォ\" " | | コ" " /ェ/\/シ" " | | |" " ト\/ハ/ナ (C-24位の絶対配置は5β-RANOLと同じRと考えられる)" " HO H OH" "044/045/" "GELATINOUS MATERIAL(TETRA-Ac=154-157(044))155(034)" "[α]/D=+21 (ETHANOL)(044)" "034/044/" "TETRA-ACETATE(044)" "TETRA-ACETATE(045)" "(045)" "044/045/" "ヨーロッパアカガエル(RANA TEMPRORARIA)胆汁(044/009) ウシガエル(RANA CATESBEIANA)胆汁(034) チョウセンアカガエル(RANA AMURENSIS COREANA)胆汁(030)ツシマアカガエル(RANA AMURENSIS TSUSHIMENSIS)胆汁(030) ヤマアカガエル(RANA TEMPORARIA DYBOWSKII)胆汁(03" "044/009/034/030/" "bileaciPage205.html" "BA0206" 5.00 "5α-CHOLESTANE-3α,7α,12α,24,26-PENTOL" "5α-CHIMAEROL" "C27H48O5" 27.00 48.00 5.00 0.00 0.00 0.00 452 " OH" " (REF:029)" " HO ナ/\/\/\" " ツ | | OH" " /\ォ\" " | | コ" " /ェ/\/シ" " | | |" " ト\/ハ/ナ" " HO H OH" "029/" "234-235 (029)" "[α]24/D=+33.5±1 (C=1.1,ETHANOL)(029)" "029/" "(029)" "029/" "コイ科の類縁のサカナ(CATOSTOMUS COMMERSONI)胆汁(029) オーストラリア産肺魚(NEOCERATODUS FORSTERI)胆汁(002) 多鰭類のサカナ(POLYPTERUS SENEGALALUS)胆汁(015)ザイール河(アフリカ)産サカナ(DISTICHODUS LUSUSSO)胆汁(015) コイ科のサカナ(LABEO CF CLARIENSI" "029/022/015/" "bileaciPage206.html" "BA0207" 5.00 "5β-CHOLESTANE-3α,7α,12α,24,26-PENTOL" "5β-CHIMAEROL" "C27H48O5" 27.00 48.00 5.00 0.00 0.00 0.00 452 " OH" " | (REF:046/047)" " HO \/\/\/\" " ツ | | OH" " /\ォ\" " | | コ" " /ェ/\/シ" " | | |" " ト\/ノ/ナ" " HO H OH" "046/047/" "180-182 (046)" "[α]/D=+41.5 (C=1.2,ETHANOL)(046)" "046/" "(047)" "(001)" "001/047/" "ギンザメ(CHIMAERA MONSTROSA)胆汁 (046) ホシザメ(MUSTELUS MANAZO)胆汁(048) アカエイ(DASYBATUS AKAJEI)胆汁(049)健常人及び胆汁うっ滞症患者尿(032) ヒト胆汁(026)" "046/048/049/032/026/" "bileaciPage207.html" "BA0208" 5.00 "5α-CHOLESTANE-3α,7α,12α,26,27-PENTOL" "5α-CYPRINOL" "C27H48O5" 27.00 48.00 5.00 0.00 0.00 0.00 452 " (REF:013/057/058)" " HO ナ/\/\/\" " ツ | | OH" " /\ォ\ \" " | | コ OH" " /ェ/\/シ" " | | |" " ト\/ハ/ナ" " HO H OH" "13/57/58/" "242(013/057) OR 242-244(058)" "[α]23/D=+29±2(C=1.7,ETHANOL)(058)" "013/057/058/" "(057/058)" "(057/060/001)" "(040)" "057/058/001/060/040/" "コイ(CYPRINUS CARPIO)胆汁(013/057/058),ハス(OPSARIICHTHYS UNCIROSRIS)胆汁 (059),カマツカ(PSEUDOGOBIO ESOCINUS)胆汁(059),ワタカ(ISHIKAUIA STEENACKERI)胆汁(059),ニゴイ(HEMIBARBUS BARBUS)胆汁(059),オイカワ(ZACCO TYPUS)胆汁(059)ヒガイ(SARCOCHEILICHTHYS VARI" "013/057/058/059/017/002/018/061/062/015/040/034/009/" "西ナイジェリア産アカガエル科のカエル(RANA GALAMENSIS)胆汁(009), ニホンアカガエル(RANA JAPONICA JAPONICA)胆汁(030),タゴガエル(RANA TAGOI)胆汁(030), アカガエル科のカエル(RANA ERYTHREA)胆汁(030)" "009/030/" "bileaciPage208.html" "ST0002" 5.00 "5β-CHOLESTANE-3α,7α,26-TRIOL" "C27H48O3" 27.00 48.00 3.00 0.00 0.00 0.00 420 " イアイアイアッOH" " オ オ (063)" " アイォイ" " オカスコ" " アイォイア" " オカ カ" " トイアノアナ" " HO H OH" "063/" "25R体 155-157゚C, 25S体 138-140゚C(063)" "25R体 [α]25/D +15.9゚, 25S体 [α]25/D +8.8゚ (063)" "063/" "1H-NMR(CDCl3) 18-CH3=66.0, 19-CH3=90.0, 21-CH3=91.0, 27-CH3=92.5 (in Hz) (063)" "546,531,456,441,366,351,255,73(BASE PEAK) (TMS DERIV.)(063)" "063/" "ヒト胆汁(026)" "(026)" "ST0003" 5.00 "5β-CHOLESTANE-3α,7α,25-TRIOL" "C27H48O3" 27.00 48.00 3.00 0.00 0.00 0.00 420 " イアイアイア" " オ ノ 合成 (064)" " アイォイ OH" " オカスコ" " アイォイア" " オカ カ" " トイアノアナ" " HO H OH" "064/" "181-183゚C(064)" "064/" "cm-1 3480,2925,2860,1465,1378,1160,1150,1070 AND 980 (064)" "621,546,531,456,441,366,351,255,253,131(BASE PEAK) (TMS DERIV.)(064)" "064/" "ヒト胆汁(026)" "(026)" "ST0004" 5.00 "5β-CHOLESTANE-3α,7α,24-TRIOL" "C27H48O3" 27.00 48.00 3.00 0.00 0.00 0.00 420 " OH" " ツ 合成 (063)" " イアイアイア" " オ オ" " アイォイ" " オカスコ" " アイォイア" " オ オ オ" " トイアノアナ" " OH H OH" "063/" "24R体 125-127゚C, 24S体 78-79゚C(063)" "24R体 [α]25/D +25.8゚, 24S体 [α]25/D +4゚ 063)" "063/" "1H-NMR 18-CH3 19-CH3 21-CH3 26,27-CH3 24R体 66.0 91.0 91.0 91.5 24S体 65.0 90.0 88.5 92.5(IN Hz)" "546,531,503,456,441,413,366,351,323,255,145(BASE PEAK),73(TMS DERIV.)(063)" "063/" "ヒト胆汁(026)" "(026)" "ST0005" 5.00 "5β-CHOLESTANE-3α,7α,24,26-TETROL" "C27H48O4" 27.00 48.00 4.00 0.00 0.00 0.00 436 " OH" " ツ 合成 (065)" " イアイアイアッOH" " オ オ" " アイォイ" " オカスコ" " アイォイア" " オ オ オ" " トイアノアナ" " OH H OH" "065/" "NONCRYSTALLINE MATERIAL(065)" "065/" "cm-1 (CHCl3) 3350 (065)" "1H-NMR 18-CH3=0.70, 19-CH3=0.96, 21-CH3=1.00, 27-CH3=1.23(065)" "681,632,591,542,501,452,411,343,321(BASE PEAK),294,281,253,233,213(TMS DERIV.) (065)" "065/" "ヒト胆汁(065)" "(065)" "ST0006" 5.00 "5β-CHOLESTANE-3α,7α,25,26-TETROL" "C27H48O4" 27.00 48.00 4.00 0.00 0.00 0.00 436 " 合成 (066)" " イアイアイアッOH" " オ ノ" " アイォイ OH" " オカスコ" " アイォイア" " オ オ オ" " トイアノアナ" " OH H OH" "066/" "200-202゚C(066)" "066/" "724(M+),621,531,441,364,351,343,255,253,219(BASE PEAK) (TMS DERIV.)(006/065/066)" "006/065/066/" "ヒト胆汁(065),マナティー(Trichechus manatus latirostris)胆汁 (006)" "(006/065)" "ST0007" 5.00 "5β-CHOLESTANE-3α,7α,26,27-TETROL" "C27H48O4" 27.00 48.00 4.00 0.00 0.00 0.00 436 " 合成 (065)" " イアイアイアッOH" " オ イーOH" " アイォイ" " オカスコ" " アイォイア" " オ オ オ" " トイアノアナ" " OH H OH" "065/" "136.5-138゚C(065)" "065/" "cm-1 3300 (065)" "IH-NMR 18-CH3=0.70, 19-CH3=0.95, 21-CH3=0.93, 3β-H=3.75, 7β-H=3.97,26- AND 27-CH2=4.02 (065)" "544,529,454,364,343,281,255(BASE PEAK),253 (TMS DERIV.) (065)" "065/" "ヒト胆汁(065)" "(065)" "BA0209" 5.00 "5β-CHOLESTANE-3α,6β,7β,25,26-PENTOL" "β-TRICHECHOL" "C27H48O5" 27.00 48.00 5.00 0.00 0.00 0.00 452 " イアイアイアッOH (006)" " オ ノ" " アイォイ OH" " オカスコ" " アイォイア" " オ オ オ" " トイアノアイ" " OH H オ OH" " OH" "006/" "709,632,619,542,529,452,439,363,349,341,285,219,195(BASE PEAK)(TMS DERIV.) (006)" "006/" "マナティー(Trichechus manatus latirostris)胆汁(006),ラット胆汁(089)" "(006/089)" "bileaciPage209.html" "ST0008" 5.00 "5β-CHOLESTANE-3α,6α,7β,25,26-PENTOL" "ω-TRICHECHOL" "C27H48O5" 27.00 48.00 5.00 0.00 0.00 0.00 452 " イアイアイアッOH (006)" " オ ノ" " アイォイ OH" " オカスコ" " アイォイア" " オ オ オ" " トイアノアイ" " OH H ツ OH" " OH" "006/" "709,632,619,542,529,452,439,363,285,253,219,195(BASE PEAK)(TMS DERIV.)(006)" "006/" "マナティー(Trichechus manatus latirostris)胆汁(006)" "(006)" "ST0009" 5.00 "5β-CHOLESTANE-3α,6β,7α,26-TETROL" "C27H48O4" 27.00 48.00 4.00 0.00 0.00 0.00 436 " イアイアイアッOH (006)" " オ オ" " アイォイ" " オカスコ" " アイォイア" " オ オ オ" " トイアノアナ" " OH H オ OH" " OH" "006/" "634,544,529,489,454,441,285,253,195(BASE PEAK) (TMS DERIV.)(006)" "006/" "マナティー(Trichechus manatus latirostris)胆汁(006)" "(006)" "ST0010" 5.00 "3α,12α,25-TRIHYDROXY-5β-CHOLESTAN-7-ONE" "C27H46O4" 27.00 46.00 4.00 0.00 0.00 0.00 434 " 合成 (027)" " HO イアイアイア" " ツ オ ノ" " アイォイ OH" " オカスコ" " アイォイア" " オ オ オ" " トイアノアク" " OH H O" "027/" "188-189゚C(027)" "027/" "cm-1(KBr) 3350,1695(027)" "IH-NMR(PYRIDINE-d5) 18-CH3=0.77, 19-CH3=1.02, 21-CH3=1.20, 26,27-CH3=1.39, 3β-H=3.75, 12β-H=4.24(027)" "560,470,380,359,341,269,251,131(BASE PEAK) (TMS DERIV.)(027)" "027/" "脳腱黄色腫症(CEREBROTENDINOUS XANTHOMATOSIS)患者胆汁及び糞(027)" "(027)" "ST0011" 5.00 "5β-CHOLESTANE-3α,7α,12α,24,25,26-HEXOL" "C27H48O6" 27.00 48.00 6.00 0.00 0.00 0.00 468 " OH" " オ 合成 (067)" " HO イアイアイアッOH" " ツ オ ノ" " アイォイ OH" " オカスコ" " アイォイア" " オ オ オ" " トイアノアナ" " OH H OH" "067/" "24R体 204-206゚C, 24S体 208-209゚C(067)" "067/" "IH-NMR 18-CH3 19-CH3 21-CH3 27-CH3 3β,7β,12β,24-H 26-H2 24R体 0.80 0.98 1.231.53 3.40-4.50 4.00 24S体 0.77 0.95 1.20 1.45 3.40-4.50 3.92 (067)" "797,681,617,591,527,501,437,411,347,343,321,253,219(BASE PEAK)(TMS DERIV.)(067)" "067/" "ヒト尿(067),ヒト血清(055),肝臓病患者尿(054)" "(054/055/067)" "BA0210" 5.00 "3α,7α,12α,19-TETRAHYDROXY-5β-CHOLAN-24-OIC ACID" "19-HYDROXYCHOLIC ACID" "19-OH-CA" "C24H40O6" 24.00 40.00 6.00 0.00 0.00 0.00 424 " (REF: )" " H HO\/\" " メト モH オ" " HO /\ォ\ COOH" " \カ カスコ" " /\ォ\/ナ" " オカ カ H" " ユハ/レ/ラ" " H OH H H OH" "275-277゚C(FROM AcOEt/MeOH)(206)" "[α]20/D=+40.4゚(C=0.95,MeOH)(206)" "206/" "(NUJOL) 3450, 2650, 1700cm-1(206)" "1H-NMR(PYRIDINE-d6) 0.84(s,18-Me), 1.24(d,21-Me), 3.93,4.28(d,19-Me), 3.89(m,3β-H), 4.16(brs,7β-H), 4.27(brs,12β-H)(206)" "Me-DMES M/Z 753(M-29),561(M-104-117),470,457(M-2x104-117),367,353(M-3x104-117),251(206)" "206/" "ヒト健常新生児(2〜9日)の尿中(0.1-1.5μg/ml) 全胆汁酸の1.5-7%(206)" "206/" "bileaciPage210.html" "BA0211" 5.00 "3α,7α,12α-TRIHYDROXY-24-NOR-5β-CHOLAN-23-CHLORIDE" "C23H39O6Cl" 23.00 39.00 3.00 0.00 0.00 0.00 398 " (REF: )" " H HO\/\" " メト モH オ" " /\ォ\ Cl" " カ カスコ" " /\ォ\/ナ" " オカ カ H" " ユハ/レ/ラ" " H OH H H OH" "182゚C(209)" "209/" "1H-NMR(CDCl3) 0.73(s,18-Me), 0.90(s,19-Me), 1.04(d,J=5Hz,21-Me), 3.84(s,3β-H), 3.99(s,12β-H)" "(EI) M/Z 362(M-2xH2O),344(M-3xH2O),271(M-2xH2O-SIDE CHAIN),253(M-3xH2O-SIDE CHAIN) (DCI) M/Z 416(M+NH4+),363(M+NH4-H2O-Cl),345(M+NH4+-2H2O-Cl)(209)" "209/" "bileaciPage211.html" "BA0212" 5.00 "SODIUM 3α,7α,12α-TRIHYDROXY-24-NOR-5β-CHOLAN-23-SULFONATE" "NORCHOLANSULFONATE" "C23H39O6Na" 23.00 39.00 6.00 0.00 0.00 1.00 466 " (REF: )" " H HO\/\" " メト モH オ" " /\ォ\ SO3-Na+" " カ カスコ" " /\ォ\/ナ" " オカ カ H" " ユハ/レ/ラ" " H OH H H OH" ">280゚C(209)" "209/" "1H-NMR(CD3OD) 0.73(s,18-Me), 0.92(s,19-Me), 1.04(d,J=7Hz,21-Me), 2.73/2.91(m,b,23-CH2), 3.36(m,b,3β-H), 3.79(s,7β-H), 3.95(s,12β-H)(209)" "(ESI) M/Z= 443.1(209)" "209/" "bileaciPage212.html" "ST0012" 5.00 "5α-CHOLESTANE-3α,7α,12α,25-TETROL" "C27H48O4" 27.00 48.00 4.00 0.00 0.00 0.00 436 " 合成 (027)" " HO イアイアイア" " ツ オ ノ" " アイォイ OH" " オカスコ" " アイォイア" " オ オ オ" " トイアハアナ" " OH H OH" "027/" "NONCRYSTALLINE MATERIAL(027)" "027/" "IH-NMR(PYRIDINE-d5) 18-CH3=0.81, 19-CH3=0.89, 21-CH3=1.23, 26,27-CH3=1.36, 7β-H=4.05, 3β,12β-H=4.16 (027)" "343,253 (TMS DERIV.)(027)" "027/" "脳腱黄色腫症(CEREBROTENDINOUS XANTHOMATOSIS)患者尿及び糞(027)" "(027)" "ST0013" 5.00 "5β-CHOLESTANE-3α,7α,12α,22,25-PENTOL" "C27H48O5" 27.00 48.00 5.00 0.00 0.00 0.00 452 " OH" " | 合成 (068)" " HO イアイアイア" " ツ オ ノ" " アイォイ OH" " オカスコ" " アイォイア" " オ オ オ" " トイアノアナ" " OH H OH" "068/" """22R体 253-255゚C, 22S体 237-239゚C(068)" "22R体 [α]/D +32゚, 22S体 [α]/D +16゚ (068)" "068/" "IH-NMR 18-CH3 19-CH3 21-CH3 26,27-CH3 22R体 0.84 1.00 1.40 1.44 22S体 0.86 1.00 1.39 1.40(068)" "653,563,473,453,433,383,363,343,293,261,253,171(BASE PEAK),131,81,73 (TMS DERIV.) (068)" "068/" "脳腱黄色腫症(CEREBROTENDINOUS XANTHOMATOSIS)患者胆汁及び尿(22R体のみ)(068)" "(068)" "ST0014" 5.00 "27-NOR-5β-CHOLEST-25-ENE-3α,7α,12α,24-TETROL" "C26H44O4" 26.00 44.00 4.00 0.00 0.00 0.00 420 " OH" " オ 合成 (026)" " HO イアイアイキ" " ツ オ" " アイォイ" " オカスコ" " アイォイア" " オ オ オ" " トイアノアナ" " OH H OH" "026/" "195-197゚C (026)" "026/" "cm-1 (KBr) 3450(OH) 1636,883(-CH=CH2)(026)" "IH-NMR(PYRIDINE-d5)18-H3=0.83, 19-H3=1.00, 21-H3=1.24, 3β-H=3.78, 7β-H=4.09, 12β-H=4.26, 24-H=4.35, 25-H=6.15, 26-H2=5.35, 5.55 (026)""" "708,618,528,481,438,349,343,294,281,253(BASE PEAK),157,129 (TMS DERIV.)(026)" "026/" "ヒト胆汁(026)" "(026)" "ST0015" 5.00 "5β-CHOLANE-3α,7α,23,24-TETROL" "C24H42O4" 24.00 42.00 4.00 0.00 0.00 0.00 394 " 合成 (026)" " イアイアッOH" " オ イ" " アイォイ OH" " オカスコ" " アイォイア" " オ オ オ" " トイアノアナ" " OH H OH" "026/" "224.5-226.5゚C (026)" "026/" "cm-1 (KBr) 3350(OH)(026)" "IH-NMR(PYRIDINE-d5) 18-H3=0.74, 19-H3=0.96, 21-H3=1.11, 3β,7β,23β-H =3.4-4.5, 24-H2=3.90(026)" "579,489,399,309(BASE PEAK),283,267,255,199(TMS DERIV.)(026)" "026/" "ヒト胆汁(026)" "(026)" "ST0016" 5.00 "5β-CHOLESTANE-3α,7α,12α,23-TETROL" "C27H48O4" 27.00 48.00 4.00 0.00 0.00 0.00 436 " 合成 (069)" " HO イアイアイア" " ツ オ オ オ" " アイォイ OH" " オカスコ" " アイォイア" " オ オ オ" " トイアノアナ" " OH H OH" "069/" "23R体 232-233゚C, 23S体 189-191゚C(069)" "23R体 [α]/D +52゚, 23S体 [α]/D +41゚ (069)" "069/" "cm-1 (KBr) 23S体 3400(OH),1080,1040,980,950,920 23R体 3340(OH),1080,1030,980,950,918 (069)" "IH-NMR(PYRIDINE-d5) 18-H3 26,27-H 19-H3 21-H3  3β-H 7β,23-H 12β-H 23R体 0.89 1.00 1.03 1.01 1.39 3.70 4.10 4.32 23S体0.88 0.95 0.98 1.00 1.38 3.70 4.10 4.32 (069)" "724,667,634,544,454,364,253(BASE PEAK),159 (TMS DERIV) (069/070)" "069/070/" "脳腱黄色腫症患者糞便(027/070),胆汁(027/071),尿(027)" "(027/070/071)" "ST0017" 5.00 "5β-CHOLESTANE-3α,7α,12α,24-TETROL" "C27H48O4" 27.00 48.00 4.00 0.00 0.00 0.00 436 " OH" " オ 合成 (072/073)" " HO イアイアイア" " ツ オ オ" " アイォイ" " オカスコ" " アイォイア" " オ オ オ" " トイアノアナ" " OH H OH" "072/073/" "24R体 185-185.5゚C, 24S体 186-186.5゚C(073)" "24R体 [α]25/D +39゚, 24S体 [α]24/D +24゚ (073)" "073/" "cm-1 3500 073)" "m/e=681,634,591,544,501,454,411,364,343,321,253,145(BASE PEAK),55 (TMS DERIV.) (025)" "025/073/" "ウサギ胆汁(025),ヒト胆汁(026),脳腱黄色腫症患者糞便(027/070),胆汁(027/071),尿(027)" "(025/026/027/070/071)" "ST0018" 5.00 "27-NOR-5β-CHOLESTANE-3α,7α,12α,24-TETROL" "26-DEOXY-5β-RANOL" "C26H46O4" 26.00 46.00 4.00 0.00 0.00 0.00 422 " OH" " | 合成 (034)" " HO イアイアイア" " ツ オ" " アイォイ" " オカスコ" " アイォイア" " オ オ オ" " トイアノアナ" " OH H OH" "034/" "24R体 196゚C, 24S体 184゚C(034)" "24R体 [α]/D +36゚, 24S体 [α]/D +27゚ (034)" "034/" "IHNMR (PYRIDINE-d5)18-H3 19-H3 26-H3 21-H3 3β,7β,12β,24-H 24R体 0.79 0.99 1.15 1.27 3.5-4.424S体 0.84 1.01 1.17 1.28 3.5-4.4 (043)""" "m/e= 530,515,501,440,433,425,411,351,343,335,321,281,253,131(BASE PEAK)(TMS DERV.) (043)" "043/" "ウシガエル(Rana catesbeiana)胆汁(034),ニホンアカガエル(Rana japonica japonica)胆汁 (030),各種カエル(Discoglossus pictus, Xenopus mulleri, Arthroleptis poecilo- notus?, Cardioglossa leucomystax, Aubria subsigillata, Dicroglossus occipitalis, Ptychadena aequiplicat" "(009/030/034)" "ST0019" 5.00 "27-NOR-5α-CHOLESTANE-3α,7α,12α,24-TETROL" "26-DEOXY-5α-RANOL" "C26H46O4" 26.00 46.00 4.00 0.00 0.00 0.00 422 " OH" " | 合成 (034)" " HO イアイアイア" " ツ オ" " アイォイ" " オカスコ" " アイォイア" " オ オ オ" " トイアハアナ" " OH H OH" "034/" "3,7,24-TRIACETATE 24R体 162゚C, 24S体 81゚C(034)" "3,7,24-TRIACETATE 24R体 +2゚, 24S体 +15゚ (034)" "034/" "ウシガエル(Rana catesbeiana)胆汁(034),アカガエル科カエル(Rana amurensis coreana, Rana amurensis tsushimensis, Rana temporaria dybowskii, Rana temporaria coreana, Rana temporaria tsushimensis, Rana japonica japonica, Rana tagoi)胆汁(030),各種カエル(Ptychadena" "(009/030/034)" "ST0020" 5.00 "5β-CHOLESTANE-3α,7α,12α-TRIOL" "C27H48O3" 27.00 48.00 3.00 0.00 0.00 0.00 420 " 合成 (074)" " HO イアイアイア" " ツ オ オ" " アイォイ" " オカスコ" " アイォイア" " オ オ オ" " トイアノアナ" " OH H OH" "074/" "186-187.5゚C(074)" "+30.4゚ (080)" "074/080/" "m/e= 546,456,366(BASE PEAK),253 (TMS DERIV.)(075)" "075/" "脳腱黄色腫症(CEREBROTENDINOUS XANTHOMATOSIS)患者胆汁(075),尿(027)" "027/075/" "ST0021" 5.00 "5β-CHOLEST-25-ENE-3α,7α,12α-TRIOL" "C27H46O3" 27.00 46.00 3.00 0.00 0.00 0.00 418 " 合成 (039)" " HO イアイアイキ" " ツ オ オ" " アイォイ" " オカスコ" " アイォイア" " オ オ オ" " トイアノアナ" " OH H OH" "039/" "164゚C(039)" "039/" "cm-1 (NUJOL) 3660(OH),1650,883(CH2=C・ ) (039)" "039/" "脳腱黄色腫症(CEREBROTENDINOUS XANTHOMATOSIS)患者胆汁(075)" "075/" "ST0022" 5.00 "27-NOR-5β-CHOLESTANE-3α,7α,12α,24,25,26-HEXOL" "C26H46O6" 26.00 46.00 6.00 0.00 0.00 0.00 454 " OH" " オ 合成 (026)" " HO イアイアイアッOH" " ツ オ オ" " アイォイ OH" " オカスコ" " アイォイア" " オ オ オ" " トイアノアナ" " OH H OH" "026/" "174-175゚C(026)" "026/" "cm-1 (KBr) 3350(OH) (026)" "IH-NMR 18-H3=0.80, 19-H3=0.99, 21-H3=1.32, 3β,7β,12β,24,25,26-H=3.50-4.40 (026)" "m/e= 769,681,591,501,411,343,321(BASE PEAK),281,253,204,191,156,129,116 (TMS DERIV.) (026/081)""" "026/081/" "ヒト胆汁(026),ヒト尿(067/081),肝疾患患者尿(054),ヒト血清(055)" "026/054/055/067/081/" "ST0023" 5.00 "5β-CHOLESTANE-3α,7α,12α,25-TETROL" "C27H48O4" 27.00 48.00 4.00 0.00 0.00 0.00 436 " 合成 (076)" " HO イアイアイア" " ツ オ ノ" " アイォイ OH" " オカスコ" " アイォイア" " オ オ オ" " トイアノアナ" " OH H OH" "076/" "188-189゚C (076), 189.5-191゚C (077)" "+36.8゚ (080)" "076/077/080/" "(080)" "m/e= 724,709,634,619,544,529,454,439,364,349,131(BASE PEAK)(TMS DERIV.)(077)" "077/080/" "脳腱黄色腫症(CEREBROTENDINOUS XANTHOMATOSIS)患者糞便(027/070/077),胆汁 (027/071/075),尿(027/078),ヒト胆汁(026),ウサギ胆汁(025),アリゲーター(Alligator mississippiensis)胆汁(016)" "016/025/026/027/070/071/075/077/078/" "ST0024" 5.00 "5β-CHOLESTANE-3α,7α,12α,23,25-PENTOL" "C27H48O5" 27.00 48.00 5.00 0.00 0.00 0.00 452 " 合成 (079)" " HO イアイアイア" " ツ オ オ ノ" " アイォイ OH OH" " オカスコ" " アイォイア" " オ オ オ" " トイアノアナ" " OH H OH" "079/" "23R体NON-CRYSTALLINE MATERIAL, 23S体209-210゚C(079)" "23S体 [α]25/D +49゚ (079)" "079/" "cm-1(CHCl3) 3340(OH),1075,1020,990,920,894 (079/080)" "IH-NMR(PYRIDINE-d5) 18-H3=0.82, 19-H3=0.96, 21-H3=1.38, 26,27-H3=1.44,1.50, 3β,7β,12β,23-H=3.40-4.60(079/080)" "m/e =722,667,632,577,550,542,487,460,452,397,370,362,344,307,281, 253,199,143,131(BASE PEAK)(TMS DERIV.)(079/080)" "079/080/" "脳腱黄色腫症(CEREBROTENDINOUS XANTHOMATOSIS)患者糞便(027/070/077),胆汁 (027/071),尿(027/078)" "027/070/071/077/078/" "ST0025" 5.00 "5β-CHOLESTANE-3α,7α,12α,24,25-PENTOL" "C27H48O5" 27.00 48.00 5.00 0.00 0.00 0.00 452 " OH" " オ 合成 (039/080)" " HO イアイアイア" " ツ オ ノ" " アイォイ OH" " オカスコ" " アイォイア" " オ オ オ" " トイアノアナ" " OH H OH" "039/080/" "24R体 212-214゚C, 24S体 203-205゚C (080)" "24R体 +44.8゚ 24S体 +28.7゚ (080)" "080/" "cm-1(KBr) 3420(OH) (080)" "IH-NMR(CD3OD) 18-H3=72.4 Hz, 19-H3=92.2, 21-H3=103.6, 26,27-H3=114.4,116.8,(080)" "m/e = 812,797,722,707,681,632,617,591,543,527,501,453,437,411,363, 347,343,321,281,253,147,143,131(BASE PEAK)(TMS DERIV.) (051/080)" "051/080/" "脳腱黄色腫症(CEREBROTENDINOUS XANTHOMATOSIS)患者糞便(027/070/077/080),胆汁(027/071),尿(027/078),ヒト胆汁(026),ヒト尿(051/067),肝疾患患者尿(054),ヒト血清(055)" "026/027/051/054/055/070/071/077/078/080/" "ST0026" 5.00 "5β-CHOLESTANE-3α,7α,12α,24,26,27-HEXOL" "SCYMNOL" "C27H48O6" 27.00 48.00 6.00 0.00 0.00 0.00 468 " OH" " オ 合成 (047)" " HO イアイアイアッOH" " ツ オ イーOH" " アイォイ" " オカスコ" " アイォイア" " オ オ オ" " トイアノアナ" " OH H OH" "047/" "120-123゚C(047)" "+34゚ (047)" "047/" "cm-1(KBr) 3400(OH)047)" "047/" "軟骨魚類(サメ,エイ)胆汁(047/048/049)" "047/048/049/" "ST0027" 5.00 "27-NOR-5β-CHOLESTANE-3α,7α,12α,24,25-PENTOL" "C26H46O5" 26.00 46.00 5.00 0.00 0.00 0.00 438 " OH" " オ 合成 (051/053)" " HO イアイアイア" " ツ オ オ" " アイォイ OH" " オカスコ" " アイォイア" " オ オ オ" " トイアノアナ" " OH H OH" "051/053/" "230゚C (051),194-200゚C (053)" "051/053/" """cm-1(KBr) 3400(OH) (051), cm-1(NUJOL) 3440(OH) (053)" "IH-NMR(PYRIDINE-d5) 18-H3=0.82, 19-H3=1.00, 21-H3=1.26, 26-H3=1.52, 3β,7β,12β,24,25-H=3.55-4.40(051)" "m/e= 798,708,693,681,618,603,591,528,513,501,438,411,371,348,343,321(BASE PEAK),281,253,219,129,117 (TMS DERIV.)(051/053/082)""" "CD(053)" "051/053/082/" "ヒト尿(051/052/067/082),ヒト血清(055),脳腱黄色腫症(CEREBROTENDINOUS XANTHO- MATOSIS)患者尿(027),ヒト胆汁(026),肝疾患患者血清(056),肝疾患患者尿(054), シトステロール血症と黄色腫を有する患者の尿及び糞便(053),胆汁うっ滞患者尿(031),完全肝外胆汁うっ滞症患者尿(032)" "026/027/031/032/051/052/053/054/055/056/067/082/089/" "ST0028" 5.00 "24-NOR-5β-CHOLESTANE-3α,7α,12α,25-TETROL" "C26H46O4" 26.00 46.00 4.00 0.00 0.00 0.00 422 " カスOH 合成 (083)" " HO イアイアイ" " ツ オ" " アイォイ" " オカスコ" " アイォイア" " オ オ オ" " トイアノアナ" " OH H OH" "083/" "124-126゚C(083)" "083/" "cm-1(KBr) 3400(OH)(083)" "IH-NMR(CDCl3) 18-H3=0.65, 19-H3=0.85, 21-H3=0.95, 26,27-H3=1.16 (083)" "m/e= 620,565,530,440,384,294,253,131(BASE PEAK) (TMS DERIV.) (003/025/083)" "003/025/083/" "胆汁うっ滞患者胆汁(003),ウサギ胆汁(025),ヒト胆汁(026)" "003/025/026/" "ST0029" 5.00 "5-β-CHOLESTANE-3α,7α,12α,26,27-PENTOL" "5β-CYPRINOL" "C27H48O5" 27.00 48.00 5.00 0.00 0.00 0.00 452 " 合成 (084/085)" " HO イアイアイアッOH" " ツ オ カ" " アイォイ イ" " オカスコ OH" " アイォイア" " オ オ オ" " トイアノアナ" " OH H OH" "084/085/" "173-174゚C (084), 175-177゚C(085)" "+35.5゚ (085)" "085/" "cm-1(NUJOL) 3400 (084)" "IH-NMR(d7-DMF) 18-H3=41.0 cps, 19-H3=52.5(086)" "084/086/" "アナゴ(Conger myriaster)胆汁(087),チョウザメ類胆汁(085),トノサマガエル(Rana nigromacul-ata)胆汁(088),ダルマガエル(Rana brevipoda)胆汁(040),アフリカツメガエル(Xenopus laevis) 胆汁(009/040),各種カエル(Discoglossus pictus, Xenopus laevis,Xenopus mulleri,Arthroleptis poecilonotus?, Pt" "(009/015/026/030/031/032/040/051/085/087/088)" "ST0030" 5.00 "26,27-DINOR-5β-CHOLESTANE-3α,7α,12α,24-TETROL" "26-DEOXY-26-NOR-5-RANOL" "C25H44O4" 25.00 44.00 4.00 0.00 0.00 0.00 408 " OH" " オ 合成 (090)" " HO イアイアイ" " ツ オ" " アイォイ" " オカスコ" " アイォイア" " オ オ オ" " トイアノアナ" " OH H OH" "090/" "24R体 179-180゚C, 24S体 192-193゚C(090)" "24R体 +40゚, 24S体 +33゚ (090)" "090/" """cm-1(KBr) 3340(OH), 1080,1030,980,950,918 (090)" "IH-NMR(PYRIDINE-d5) 18-H3=0.83, 19-H3=1.02, 21-H3=1.25, 25-H3=1.35, 3β,7β,12β,24H=3.70-4.35(090)" "m/z= 696,606,516,426,343,337,253 (TMS DERIV.)(090)" "090/" "カエル(Arthroleptis poecilonotus?, Aubria subsigillata,Dicroglossus occipitalis, Rana pipiens)胆汁(009)" "009/" "BA0213" 5.00 "3α,7α,12α,24-TETRAHYDROXY-24-METHYL-5β-CHOLESTAN-26-OIC ACID" "C28H48O6" 28.00 48.00 6.00 0.00 0.00 0.00 480 " OH O 合成 (REF:091)" " ォ キ" " HO \/\/\/\" " テ オ カ OH" " /\ォ\" " オカスコ" " /ェ/\/" " オ オ オ" " ト\/ノ/ナ" " HO H OH" "091/" "METHYL ESTER 144゚C(091)" "091/" "METHYL ESTER-TMS ETHER:767(9%),692(4%),602(31%),512(25%),422(14%),343(22%),281(11%),253(17%),203(100%) (092)" "092/" "ヒキガエル(BUFO VULGARIS FORMOSUS)胆汁(092)" "092/" "bileaciPage213.html" "BA0214" 5.00 "3α,7α,12α-TRIHYDROXY-24-METHYL-5β-CHOLESTANOIC ACID" "C28H48O5" 28.00 48.00 5.00 0.00 0.00 0.00 464 " O 合成 (REF:091)" " オ セ" " HO \/\/\/\" " テ オ カ OH" " /\ォ\" " オカスコ" " /ェ/\/" " オ オ オ" " ト\/ノ/ナ" " HO H OH" "091/" "192゚C(091)" "091/" "METHYL ESTER-TMS ETHER : 679(4%),604(4%),514(25%),499(4%),424(56%),409(8%),343(40%),317(15%),281(24%),253(100%) (033)" "033/" "ウシガエル(RANA CATESBEIANA)胆汁(033)" "033/" "bileaciPage214.html" "BA0215" 5.00 "3α,7α,12α-TRIHYDROXY-5β-CHOLEST-22-ENE-24-CARBOXYLIC ACID" "C28H46O5" 28.00 46.00 5.00 0.00 0.00 0.00 462 " Oケ/OH (REF:093)" " オ" " HO \/ク/\/" " テ オ カ" " /\ォ\" " オカスコ" " /ェ/\/" " オ オ オ" " ト\/ノ/ナ" " HO H OH" "093/" "160゚C(094)" "094/" "METHYL ESTER-TMS ETHER:692(6%),602(29%),512(23%),422(28%),343(22%),315(7%),253(100%) (092)" "092/" "ヒキガエル(BUFO VULGARIS FORMOSUS)胆汁(092/093/094)" "092/093/094/" "bileaciPage215.html" "BA0216" 5.00 "3α,7α,12α-TRIHYDROXY-5α-CHOLEST-22-ENE-24-CARBOXYLIC ACID" "C28H46O5" 28.00 46.00 5.00 0.00 0.00 0.00 462 " Oケ/OH (REF:092)" " オ" " HO \/ク/\/" " テ オ カ" " /\ォ\" " オカスコ" " /ェ/\/" " オ オ オ" " ト\/ハ/ナ" " HO H OH" "092/" "METHYL ESTER-TMS ETHER:692(10%),602(49%),512(27%),422(7%),343(49%),315(37%),253(100%) (092)" "092/" "ヒキガエル(BUFO VULGARIS FORMOSUS)胆汁(092)" "092/" "bileaciPage216.html" "BA0217" 5.00 "2β,3α,7α,12α-TETRAHYDROXY-5β-CHOLESTAN-26-OIC ACID" "ARAPAIMIC ACID" "C27H46O6" 27.00 46.00 6.00 0.00 0.00 0.00 466 " O (REF:008)" " ウ" " HO \/\/\/\" " テ オ カ OH" " /\ォ\" " HO オカスコ" " \/ェ/\/" " オ オ オ" " ト\/ノ/ナ" " HO H OH" "008/" "244-248゚C(008)" "008/" "1H-NMR(CDCl3) 0.775(C-18),1.03(C-19),1.17(d,J=5.5Hz,C-21),1.29(d,J=6.5Hz, C-27),4.0-4.4(C-2α),3.5-3.9(C-3β),4.08(m,C-7β),4.20(m,C-12β)(008)""" "TETRAACETATE-METHYL ESTER: 648(M+),528,468,431,408,371,311,251 (008)" "008/" "ARAPAIMA GIGAS 胆汁(008)" "008/" "bileaciPage219.html" "BA0218" 5.00 "3α,7α,12α,22-TETRAHYDROXY-5β-CHOLESTAN-26-OIC ACID" "C27H46O6" 27.00 46.00 6.00 0.00 0.00 0.00 466 " OH O (REF:095/096/098)" " ッ ウ" " HO \/\/\/\" " テ オ カ OH" " /\ォ\" " オカスコ" " /ェ/\/" " オ オ オ" " ト\/ノ/ナ" " HO H OH" "095/095/098/" "ラクトン体 220゚C(095)" "095/" "ラクトン体 (NUJOL) 3300,1710cm-1 (096)" "ラクトン体(CDCl3) 0.68(s,19-H3), 0.87(s,18-H3),1.11(d,J=6.5Hz,21-H3), 1.30(d,J= 6.5Hz,27-H3), 2.40(ddq,J=11.5,6.2 & 6.8Hz,25-H), 4.42(dd,J=11.7 & 3.2Hz, 22-H)(095)クトン体(PYRIDINE-d5) 0.81(18-H3), 1.0(19-H3), 1.25(21-H3), 1.27(27-H3),〜3.73(3β-H),4.10(メチルエステル(PYRIDINE-d5) 0.90(18-H3), 1.03(19-H3), 1.40(21-H3), 1.22(27-H3), 〜3.72(3β-H), 4.11(7β-H),4.35(12β-H),〜4.00(22-H)(097)" "メチルエステル-TMS-エーテル: M/E=383,293,253,217,185,127 (097) ラクトン体-TMS エーテル: M/E=574,559,484,469,394,343,281,253,113 (097)" "095/096/097/" "スッポン (AMYDA JAPONICA)胆汁(095/096),CHELONIA MYDAS 胆汁(097) ヒト(ZELLWEGER'S SYNDROME 患者)尿(098)" "095/096/097/098/" "スッポンなどカメ目に見出されたものの側鎖の絶対配置は(22S,25R)と決定(095) ヒト(ZELLWEGER SYNDROME患者)から見出されたものは 22R体 (098)" "bileaciPage217.html" "BA0219" 5.00 "3α,7α,12α,24-TETRAHYDROXY-5α-CHOLESTAN-26-OIC ACID" "C27H46O6" 27.00 46.00 6.00 0.00 0.00 0.00 466 " OH O 合成 (REF:033)" " ッ ウ" " HO \/\/\/\" " テ オ カ OH" " /\ォ\" " オカスコ" " /ェ/\/" " オ オ オ" " ト\/ハ/ナ" " HO H OH" "033/" "(KBr) 3340(OH), 1710(COOH) (033)" "メチルエステル-TMS-エーテル: 753, 588, 498, 343, 253 (033)" "033/" "ウシガエル (RANA CATESBEIANA)胆汁(033)" "033/" "bileaciPage218.html" "BA0220" 5.00 "3α,7α,12α,23-TETRAHYDROXY-5β-CHOLESTAN-26-OIC ACID" "C27H46O6" 27.00 46.00 6.00 0.00 0.00 0.00 466 " O (REF:098)" " ウ" " HO \/\/\/\" " テ オ ッカ OH" " /\ォ\ OH" " オカスコ" " /ェ/\/" " オ オ オ" " ト\/ノ/ナ" " HO H OH" "098/" "ラクトン体-TMS-エーテル: 574,559,484,469,394,379,343,253 (098)" "098/" "ヒト (ZELLWEGER'S SYNDROME 患者)尿(098/099)" "098/099/" "bileaciPage220.html" "BA0221" 5.00 "3β,7α,12α-TRIHYDROXY-5α-CHOLESTAN-26-OIC ACID" "C27H46O5" 27.00 46.00 5.00 0.00 0.00 0.00 450 " O 合成 (REF:018)" " ウ" " HO \/\/\/\" " テ オ カ OH" " /\ォ\" " オカスコ" " /ェ/\/" " オ オ オ" " /\/ハ/ナ" " HO H OH" "018/" "228-229゚C(018)" "018/" "(KBr) 3400(OH), 1730(COOH) (018)" "(PYRIDINE-d5) 0.80(s,18-H3),0.90(s,19-H3),1.23(d,J=6Hz,21-H3),1.32(d,J=6Hz, 27-H3),3.80(m,3α-H),4.09(m,7β-H),4.23(m,12β-H) (018)""" "メチルエステル-TMS エーテル: 693,618,514,483,411,357,303,253 (018)" "018/" "シーラカンス(LATIMERIA CHALUMNAE)胆汁(018)" "018/" "bileaciPage221.html" "BA0222" 5.00 "1β,3α,7α,12α-TETRAHYDROXY-5β-CHOLESTANOIC ACID" "C27H46O6" 27.00 46.00 6.00 0.00 0.00 0.00 466 " O (REF:100)" " ウ" " HO \/\/\/\" " テ オ カ OH" " HO /\ォ\" " カ オカスコ" " /ェ/\/" " オ オ オ" " ト\/ノ/ナ" " HO H OH" "100/" "メチルエステル-TMS エーテル: 588,498,408,341,251,217 (100)" "100/" "アリゲーター(ALLIGATOR MISSISSIPPIENSIS)胆汁(100) ヒト (ZELLWEGER'S SYNDROME 患者)尿(099/104/125)" "100/099/104/125/" "bileaciPage222.html" "BA0223" 5.00 "3α,7β,12α-TRIHYDROXY-5β-CHOLESTAN-26-OIC ACID" "C27H46O5" 27.00 46.00 5.00 0.00 0.00 0.00 450 " O 合成 (REF:100)" " ウ" " HO \/\/\/\" " テ オ カ OH" " /\ォ\" " オカスコ" " /ェ/\/" " オ オ オ" " ト\/ノ/\" " HO H OH" "100/" "90-92゚C(100)" "100/" "(KBr) 3400, 1720 (100)" "(PYRIDINE-d5)メチルエステル:0.82(s,18-H3),1.00(s,19-H3),1.13(d,J=6Hz,21-H3),1.17(d,J=6Hz, 27-H3),3.78(m,3β-H AND 7α-H),4.16(m,12β-H),3.57(s,COOCH3) (100)""" "メチルエステル-TMS エーテル: 665,590,500,433,410,343,281,253,243 (100)" "100/" "アリゲーター(ALLIGATOR MISSISSIPPIENSIS)胆汁(100)" "100/" "bileaciPage223.html" "BA0224" 5.00 "7β,12α-DIHYDROXY-3-OXO-5β-CHOLESTAN-26-OIC ACID" "C27H44O5" 27.00 44.00 5.00 0.00 0.00 0.00 448 " O (REF:100)" " ウ" " HO \/\/\/\" " テ オ カ OH" " /\ォ\" " オカスコ" " /ェ/\/" " オ オ オ" " エ\/ノ/\" " O H OH" "100/" "メチルエステル-TMS エーテル: 591,516,426,269,251 (100)" "100/" "アリゲーター(ALLIGATOR MISSISSIPPIENSIS)胆汁(100)" "100/" "bileaciPage224.html" "BA0225" 5.00 "7α,12α-DIHYDROXY-3-OXO-5β-CHOLESTAN-26-OIC ACID" "C27H44O5" 27.00 44.00 5.00 0.00 0.00 0.00 448 " O 合成 (REF:100)" " ウ" " HO \/\/\/\" " テ オ カ OH" " /\ォ\" " オカスコ" " /ェ/\/" " オ オ オ" " エ\/ノ/ナ" " O H OH" "100/" "メチルエステル168-170゚C(100)" "100/" "(KBr) 3400, 1735, 1700(100)" "(PYRIDINE-d5) メチルエステル:0.80(s,18-H3),0.97(s,19-H3),1.11(d,J=6Hz,21-H3 AND 27-H3),3.50(s,COOCH3),3.99(m,7β-H),4.15(m,12β-H) (100)""" "100/" "アリゲーター(ALLIGATOR MISSISSIPPIENSIS)胆汁(016/100)" "016/100/" "bileaciPage225.html" "BA0226" 5.00 "7α,12α-DIHYDROXY-3-OXO-5α-CHOLESTAN-26-OIC ACID" "C27H44O5" 27.00 44.00 5.00 0.00 0.00 0.00 448 " O (REF:016)" " ウ" " HO \/\/\/\" " テ オ カ OH" " /\ォ\" " オカスコ" " /ェ/\/" " オ オ オ" " エ\/ハ/ナ" " O H OH" "016/" "アリゲーター(ALLIGATOR MISSISSIPPIENSIS)胆汁(016)" "016/" "bileaciPage226.html" "BA0227" 5.00 "3α,12α-DIHYDROXY-7-OXO-5β-CHOLESTAN-26-OIC ACID" "C27H44O5" 27.00 44.00 5.00 0.00 0.00 0.00 448 " O 合成 (REF:100)" " ウ" " HO \/\/\/\" " テ オ カ OH" " /\ォ\" " オカスコ" " /ェ/\/" " オ オ オ" " ト\/ノ/ケ" " HO H O" "100/" "(PYRIDINE-d5)メチルエステル:0.75(s,18-H3),1.13(d,J=6Hz,21-H3),1.15(d,J=6Hz,27-H3),1.17(s,19-H3),3.57(COOCH3),3.72(m,3β-H),4.12(m,12β-H) (100)""" "100/" "アリゲーター(ALLIGATOR MISSISSIPPIENSIS)胆汁(016/100)" "016/100/" "bileaciPage227.html" "BA0228" 5.00 "3β-HYDROXY-5β-CHOLESTAN-26-OIC ACID" "C27H46O3" 27.00 46.00 3.00 0.00 0.00 0.00 418 " O (REF:101)" " ウ" " \/\/\/\" " オ カ OH" " /\ォ\" " オカスコ" " /ェ/\/" " オ オ オ" " /\/ノ/" " HO H" "101/" "アリゲーター(ALLIGATOR MISSISSIPPIENSIS)糞(101) ヒト (ZELLWEGER'S SYNDROME 患者)血清(103)" "101/103/" "bileaciPage228.html" "BA0229" 5.00 "3α-HYDROXY-5β-CHOLESTAN-26-OIC ACID" "C27H46O3" 27.00 46.00 3.00 0.00 0.00 0.00 418 " O 合成 (REF:102/111)" " ウ" " \/\/\/\" " オ カ OH" " /\ォ\" " オカスコ" " /ェ/\/" " オ オ オ" " ト\/ノ/" " HO H" "102/111/" "169゚C(102),25L体(111),25D体(112)169-170゚C, 155-157゚C(112),メチルエステル:100-105゚C(111), 25L体 112-113゚C(112),25D体 108-109゚C(112)169-170゚C, 155-157゚C(112)," "25L体 +43゚ 25D体 +26゚ (112)" "102/112/111/" "(KBr) 3400, 1710 (102)" "メチルエステル-TMS エーテル:504,489,414,399,383,257,230,215 (101)" "101/102/" "アリゲーター(ALLIGATOR MISSISSIPPIENSIS)糞(101) ヒト (ZELLWEGER'S SYNDROME 患者)血清(103)" "101/103/" "bileaciPage229.html" "BA0230" 5.00 "3β,12α-DIHYDROXY-5β-CHOLESTAN-26-OIC ACID" "C27H46O4" 27.00 46.00 4.00 0.00 0.00 0.00 434 " O (REF:101)" " ウ" " HO \/\/\/\" " テ オ カ OH" " /\ォ\" " オカスコ" " /ェ/\/" " オ オ オ" " /\/ノ/" " HO H" "101/" "アリゲーター(ALLIGATOR MISSISSIPPIENSIS)糞(101)" "101/" "bileaciPage230.html" "BA0231" 5.00 "3α,12α-DIHYDROXY-5β-CHOLESTAN-26-OIC ACID" "C27H46O4" 27.00 46.00 4.00 0.00 0.00 0.00 434 " O 合成 (REF:100/112)" " ウ" " HO \/\/\/\" " テ オ カ OH" " /\ォ\" " オカスコ" " /ェ/\/" " オ オ オ" " ト\/ノ/" " HO H" "100/112/" "144-146゚C(100),25L体(112),25D体(112))144-146゚C(100), 25L体 177-179゚C(112), 25D体 130, 174-175゚C (112)" "25L体 +63゚, 25D体 +47゚ (112)" "100/112/" "(KBr) 3400, 1700 (100)" "(PYRIDINE-d5): 0.73(s,18-H3),0.95(s,19-H3),1.16(d,J=6Hz,21-H3),1.31(d,J=6Hz,27-H3), 3.80(m,3β-H), 4.22(m,12β-H) (100)""" "100/" "アリゲーター(ALLIGATOR MISSISSIPPIENSIS)胆汁(016/100), 糞(101)" "016/100/101/" "bileaciPage231.html" "BA0232" 5.00 "3β,7β-DIHYDROXY-5β-CHOLESTAN-26-OIC ACID" "C27H46O4" 27.00 46.00 4.00 0.00 0.00 0.00 434 " O (REF:101)" " ウ" " \/\/\/\" " オ カ OH" " /\ォ\" " オカスコ" " /ェ/\/" " オ オ オ" " /\/ノ/\" " HO H OH" "101/" "アリゲーター(ALLIGATOR MISSISSIPPIENSIS)糞(101)" "101/" "bileaciPage232.html" "BA0233" 5.00 "3α,7β-DIHYDROXY-5β-CHOLESTAN-26-OIC ACID" "C27H46O4" 27.00 46.00 4.00 0.00 0.00 0.00 434 " O 合成 (REF:100)" " ウ" " \/\/\/\" " オ カ OH" " /\ォ\" " オカスコ" " /ェ/\/" " オ オ オ" " ト\/ノ/\" " HO H OH" "100/" "(KBr) 3400, 1700 (100)" "(PYRIDINE-d5): 0.70(s,18-H3), 0.97(s,19-H3), 0.97(d,J=6Hz,21-H3), 1.26(d,J=6Hz,27-H3), 3.70(m,3β-H,7α-H) (100)" "100/" "アリゲーター(ALLIGATOR MISSISSIPPIENSIS)胆汁(100), 糞(101)" "100/101/" "bileaciPage233.html" "BA0234" 5.00 "3α,7α-DIHYDROXY-5β-CHOLEST-24-EN-26-OIC ACID" "C27H44O4" 27.00 44.00 4.00 0.00 0.00 0.00 432 " O 合成 (REF:105/150)" " ウ" " \/\/ケ/\" " オ カ OH" " /\ォ\" " オカスコ" " /ェ/\/" " オ オ オ" " ト\/ノ/ナ" " HO H OH" "105/150/" "214゚C (105)" "105/" "(KBr) 3400, 1680,1640 (105)" "メチルエステル-TMS-エーテル:590,575,559,500,410,395,345,283,255 (106)" "106/" "オウトカゲ(VARANUS MONITOR)胆汁(106)" "106/" "bileaciPage234.html" "BA0235" 5.00 "3α,7α-DIHYDROXY-5β-CHOLEST-23-EN-26-OIC ACID" "C27H44O4" 27.00 44.00 4.00 0.00 0.00 0.00 432 " O (REF:106)" " ウ" " \/\エ\/\" " オ カ OH" " /\ォ\" " オカスコ" " /ェ/\/" " オ オ オ" " ト\/ノ/ナ" " HO H OH" "106/" "メチルエステル-TMS-エーテル:590,575,500,463,410,373,345,283,255 (106)" "106/" "オウトカゲ(VARANUS MONITOR)胆汁(106)" "106/" "bileaciPage235.html" "BA0236" 5.00 "3α,12α,22-TRIHYDROXY-5β-CHOLESTAN-26-OIC ACID" "C27H46O5" 27.00 46.00 5.00 0.00 0.00 0.00 450 " OH O (REF:097)" " ッ ウ" " HO \/\/\/\" " テ オ カ OH" " /\ォ\" " オカスコ" " /ェ/\/" " オ オ オ" " ト\/ノ/" " HO H" "097/" "メチルエステル(PYRIDINE-d5): 0.83(s,18-H3),0.99(s,19-H3),1.38(d,J=6.5Hz,21- H3),1.22(d,J=7Hz,27-H3),〜3.90(m,3β-H),4.30(m,12β-H),〜4.01(m,22-H) ラクトン体(pyridine-d5): 0.73(s,18-H3),0.97(s,19-H3),1.22(d,J=6.5Hz,21-H3)1.29(d,J=7Hz,27-H3),4.20(m,12" "メチルエステル-TMS-エーテル:665,385,345,295,255,217,185,127 (097) ラクトン体-TMS-エーテル:576,471,396,345,283,255 (097)" "097/" "スッポン (CHELONIA MYDAS)胆汁(097)" "097/" "bileaciPage236.html" "BA0237" 5.00 "3α,7α,24-TRIHYDROXY-5β-CHOLESTAN-26-OIC ACID" "C27H46O5" 27.00 46.00 5.00 0.00 0.00 0.00 450 " OH O 合成 (REF:106/065)" " ッウ" " \/\/\/\" " オ カ OH" " /\ォ\" " オカスコ" " /ェ/\/" " オ オ オ" " ト\/ノ/ナ" " HO H OH" "106/065/" "メチルエステル(CHCl3): 3300,1710 (065)" "メチルエステル(PYRIDINE-d5):0.70(s,18-H3),0.95(s,19-H3),0.98(d,J=6Hz,21-H3),1.43(d,J=6Hz,27-H3),3.60(COOCH3),3.50-4.10(m,3β-H,24-H),3.95(m,7β-H) (065)""" "メチルエステル-TMS-エーテル:500,485,410,395,343,323,296,281,255,253,243,189 (065)" "065/" "オウトカゲ (VARANUS MONITOR)胆汁(106) ヒト(ZELLWEGER'S SYNDROME患者)血清(122/123/125)" "106/122/123/125/" "bileaciPage237.html" "BA0238" 5.00 "3β,7α,12α-TRIHYDROXY-5β-CHOLESTAN-26-OIC ACID" "C27H46O5" 27.00 46.00 5.00 0.00 0.00 0.00 450 " O (REF:101)" " ウ" " HO \/\/\/\" " テ オ カ OH" " /\ォ\" " オカスコ" " /ェ/\/" " オ オ オ" " ア\/ノ/ナ" " HO H OH" "101/" "アリゲーター(ALLIGATOR MISSISSIPPIENSIS) 糞(101)" "101/" "bileaciPage238.html" "BA0239" 5.00 "3α,7α,12α-TRIHYDROXY-5β-CHOLEST-24-EN-26-OIC ACID" "C27H44O5" 27.00 44.00 5.00 0.00 0.00 0.00 448 " O 合成 (REF:107/150)" " ウ" " HO \/\/ケ/\" " テ オ カ OH" " /\ォ\" " オカスコ" " /ェ/\/" " オ オ オ" " ト\/ノ/ナ" " HO H OH" "107/150/" "24E体 205-206゚C(107)" "107/" "(KBr) 1645,1682,3400 (107)" "(PYRIDINE-d5) 24E体 0.78(s,18-H3),0.97(s,19-H3),1.19(d,J=6Hz,21-H3),1.80(s,27-H3),3.65(m,3βーH),4.05(m,7β-H),4.20(m,12β-H),7.13(t,J=6Hz,24-H) 24Z体は 24-Hのみ 5.85(t,6Hz), 残りは全部 24E体と同じ (107)""" "メチルエステル-TMS エーテル (106):678,663,588,573,551,498,461,408,371,433, 431,281,343,341,253,251" "107/106/" "オウトカゲ (VARANUS MONITOR)胆汁(106) ヒト 胆汁(108)" "106/108/" "bileaciPage239.html" "BA0240" 5.00 "3α,7α,12α-TRIHYDROXY-5β-CHOLEST-23-EN-26-OIC ACID" "C27H44O5" 27.00 44.00 5.00 0.00 0.00 0.00 448 " O (REF:109/110)" " ウ" " HO \/\エ\/\" " テ オ カ OH" " /\ォ\" " オカスコ" " /ェ/\/" " オ オ オ" " ト\/ノ/ナ" " HO H OH" "109/110/" "176-179゚C(109)" "[α]12/D = +29.13 (C=1.16,ethanol) (109)" "109/" "メチルエステル-TMS エーテル(092):663,588,498,461,408,371,343,301,281,253 メチルエステル-TMS エーテル(106):678,663,588,573,551,498,461,431,408,371, 343,341,281,253,251" "092/106/" "ヒキガエル (BUFO VULGARIS JAPONICUS)胆汁(109) ヒキガエル (BUFO VULGARIS FORMOSUS)胆汁(092) オウトカゲ (VARANUS MONITOR)胆汁(106)" "092/109/106/" "bileaciPage240.html" "BA0241" 5.00 "3α,7α-DIHYDROXY-5β-CHOLESTAN-26-OIC ACID" "C27H46O6" 27.00 46.00 4.00 0.00 0.00 0.00 434 " O 合成 (REF:105/112/116)" " ウ" " \/\/\/\" " オ カ OH" " /\ォ\" " オカスコ" " /ェ/\/" " オ オ オ" " ト\/ノ/ナ" " HO H OH" "105/112/116/" "25D型 175-176゚C 25L型 非結晶性(112)" "25D型 +5゚ 25L型 +18゚ (112)" "112/" "3400,1700 (105)" "メチルエステル:448,430,412,397,273,264,255,245,228,213,201 (116)" "105/116/" "アリゲーター(ALLIGATOR MISSISSIPPIENSIS)胆汁(016/100/116), 糞(101) ヒト(ZELLWEGER'S SYNDROME 患者)胆汁(103/123), 尿(103/119/121), 血清(120/122/123/125), 血漿(126)ヒト(幼児性 REFSUM 病患者)血漿(126) トビ(MILVUS LINEATUS LINEATUS)胆汁(129)" "016/100/116/103/123/119/121/120/122/125/126/129/141/" "bileaciPage241.html" "BA0242" 5.00 "3α,7α,12α,24-TETRAHYDROXY-5β-CHOLESTAN-26-OIC ACID" "VARANIC ACID" "C27H46O6" 27.00 46.00 6.00 0.00 0.00 0.00 466 " OH O 合成 (REF:107)" " ッウ" " HO \/\/\/\" " テ オ カ OH" " /\ォ\" " オカスコ" " /ェ/\/" " オ オ オ" " ト\/ノ/ナ" " HO H OH" "107/" "24S,25R体:170-171゚C, 24S,25S体:173-175゚C,24R,25R体:219-220゚C, 24R,25S体:149-150゚C(107)" "+23.5゚ +26.7゚ +61.7゚ +44.6゚ (107)" "107/" "24S,25R体 / 24S,25S体 / 24R,215R体 / 24R,25S体 : 1715 / 1715 / 1715 / 1715 : 3390 / 3390 / 3390 / 3390 (107)" "24S,25R/24S,25R/24R,25R/,24R,25S:0.83/0.82/0.81/0.81(S,18-H3),1.00/1.00/0.98/0.98/(S,19-H3),1.24/1.25/1.25/1.25(d,21-H3),1.24/1.25/1.25/1.25(d,27-H3),3.70/3.70/3.70/3.70(m,3β-H),4.10/4.09/4.07/4.08(M,7β-H),4.27/4.25/4.25/4.25(M,12β-H),4.35/4.29/4.30/4" "メチルエステル-TMS deriv.:753,588,498,408,343,321,281,253 (033)" "033/107/" "オウトカゲ(VARANUS NILOTICUS)胆汁(130) オウトカゲ(VARANUS MONITOR)胆汁(106) スズガエル(BOMBINA ORIENTALIS)胆汁(040/131)ウシガエル(RANA CATESBEIANA)胆汁(033) ヒキガエル(BUFO VU" "130/106/040/031/033/092/103/122/125/099/119/121/123/126/" "bileaciPage242.html" "BA0243" 5.00 "3α,7α,12α,26-TETRAHYDROXY-5α-CHOLESTAN-27-OIC ACID" "C27H46O6" 27.00 46.00 6.00 0.00 0.00 0.00 466 " O 合成 (REF:033)" " ウ" " HO \/\/\/\" " テ オ カ OH" " /\ォ\ \" " オカスコ OH" " /ェ/\/" " オ オ オ" " ト\/ハ/ナ" " HO H OH" "033/" "238-240゚C(033)" "033/" "(KBr) 3300,1710 (033)""" "(PYRIDINE-d5) 0.80(s,18-H3),0.90(s,19-H3),1.19(d,J=6Hz,21-H3),4.09(m,3β-H),4.16-4.36(m,7β-H,12β-H,26-H2) (033)" "メチルエステル-TMS エーテル:753,678,588,498,343,281,253 (033)" "033/" "ウシガエル (RANA CATESBEIANA)胆汁(033)" "033/" "bileaciPage243.html" "BA0244" 5.00 "3α,7α,12α,26-TETRAHYDROXY-5β-CHOLESTAN-27-OIC ACID" "C27H46O6" 27.00 46.00 6.00 0.00 0.00 0.00 466 " O 合成 (REF:030)" " ウ" " HO \/\/\/\" " テ オ カ OH" " /\ォ\ \" " オカスコ OH" " /ェ/\/" " オ オ オ" " ト\/ノ/ナOH" " HO H" "030/" "268-269゚C(030)" "030/" "νKBr/max:1720,2940,3400cm-1(030)" "(PYRIDINE-d5) 0.81(s,18-H3),1.01(s,19-H3),1.21(d,J=6Hz,21-H3),3.76(m,3β-H),4.16(m,7β-H),4.28(m,12β-H),4.30(m,26-H2) (030)" "メチルエステル-TMS deriv.:753,678,588,498,391,343,281,253 (030)" "030/" "プランシーアカガエル (RANA PLANCYI)胆汁(030)ウシガエル(RANA CATESBEIANA)胆汁(033) ヒト(ZELLWEGER'S SYNDROME 患者)尿(099), 血漿(126)ヒト(幼児性 REFSUM 病患者) 血漿(126) ヒト胆汁(108) アリゲーター (ALLIGATOR MISSISSIPPIENSIS)胆汁(100)" "030/033/099/126/108/100/" "bileaciPage244.html" "BA0245" 5.00 "3α,7α,12α-TRIHYDROXY-5α-CHOLESTAN-26-OIC ACID" "C27H46O5" 27.00 46.00 5.00 0.00 0.00 0.00 450 " O 合成 (REF:127)" " ウ" " HO \/\/\/\" " テ オ カ OH" " /\ォ\" " オカスコ" " /ェ/\/" " オ オ オ" " ト\/ハ/ナ" " HO H OH" "127/" "225-226゚C(127), 227-229゚C(128)" "[α]25/D= +41.7゚(127)" "127/128/" "3278,1710,1194,1123,1083,1035,1009, 957, 930, 888, 859, 838 (127)" "メチルエステル-TMS deriv.:665,590,575,500,485,410,395,343,303,281,253 (033)" "127/033/" "イグアナ(IGUANA IGUANA)胆汁(128) チョウセンヤマアカガエル(RANA TEMPORARIA COREANA)胆汁(030) ツシマヤマアカガエル(RANA TEMPORARIA TSUSHIMENSIS)胆汁(030)ウシガエル(RANA CATESBEIANA)胆汁(033)ツチガエル(RANA RUGOSA)胆汁(040)" "128/030/033/040/016/100/" "bileaciPage245.html" "BA0246" 5.00 "3α,6α,7α,12α-TETRAHYDROXY-5β-CHOLESTAN-26-OIC ACID" "C27H46O6" 27.00 46.00 6.00 0.00 0.00 0.00 466 " O 合成 (REF:115)" " ウ" " HO \/\/\/\" " テ オ カ OH" " /\ォ\" " オカスコ" " /ェ/\/" " オ オ オ" " ト\/・/ナOH" " HO H ロOH" "115/" "260-262゚C(115)" "115/" "(PYRIDINE-d5) 0.81(s,18-H3),1.04(s,19-H3),1.22(d,J=6Hz,21-H3),1.34(d,J=7Hz,27-H3),3.68-3.84(m,3β-H),4.22-4.31(m,6β-H,7β-H,12β-H) (115)""" "メチルエステル-TMS エーテル:588,498,409,341,251 (115)" "115/" "ヒト(ZELLWEGER'S SYNDROME 患者)尿(099/104),血清(122)" "099/104/122/" "bileaciPage246.html" "BA0247" 5.00 "3β-HYDROXYCHOLEST-5-EN-26-OIC ACID" "C27H44O3" 27.00 44.00 3.00 0.00 0.00 0.00 416 " O (REF:103)" " ウ 合成(111)" " \/\/\/\" " オ カ OH" " /\ォ\" " オカスコ" " /ェ/\/" " オ オ オ" " /\/ク/" " HO" "103/111/" "メチルエステル97-100゚C(111)" "111/" "メチルエステル-TMS エーテル:502,446,412,373,291,255,129 (103/111/144)" "103/111/144/" "ヒト(ZELLWEGER'S SYNDROME 患者)血清,胆汁(103) ヒト血液(144) ヒト(3β-HYDROXY-△5-C27-STEROID DEHYDROGENASE 欠損症患者)血漿(145)" "103/144/145/" "bileaciPage247.html" "BA0248" 5.00 "3α,7α,12α,25-TETRAHYDROXY-5β-CHOLESTAN-26-OIC ACID" "C27H46O6" 27.00 46.00 6.00 0.00 0.00 0.00 466 " O 合成 (REF:113)" " ウ" " HO \/\/\/\" " テ オ カ\ OH" " /\ォ\ OH" " オカスコ" " /ェ/\/" " オ オ オ" " ト\/ノ/ナ" " HO H OH" "113/" "メチルエステル-TMS エーテル:753,709,678,619,588,529,498,439,391,367,343,253,226,199 113)" "113/" "ヒト(高度腸閉塞新生児)胃内容物(113), ZELLWEGER'S SYNDROME患者胆汁(103),尿(102),血漿(126)" "113/103/102/126" "bileaciPage248.html" "BA0249" 5.00 "3α,7α,12α-TRIHYDROXY-27a,27b-DIHOMO-5β-CHOLESTANE-26,27b-DIOIC ACID" "C29H47O7" 29.00 47.00 7.00 0.00 0.00 0.00 507 " O 合成 (REF:114)" " ウ" " HO \/\/\/\/\" " テ オ カ OH" " /\ォ\ エ\" " オカスコ O OH" " /ェ/\/" " オ オ オ" " ト\/ノ/ナ" " HO H OH" "114/" "(CDCl3)メチルエステルーアセタート:0.72(s,18-H3),0.92(s,19-H3),0.79(d,J=6.5Hz,21-H3),4.60(tt,J=31Hz,3β-H),4.92(q,J=9.5Hz,7β-H),5.10(t,J=6Hz,12β-H), 2.14,2.10,2.06(s,CH3COx3),3.675(s,COOCH3x2),2.29,2.35(CH2COOCH3), 2.40(CH2CHCOOCH3) (114)""" "ジメチルエステル-アセタート(114):542,482,313,253 ジメチルエステル-TMS エーテル(114):752,737,662,572,482,343,253" "114/" "ヒト(ZELLWEGER'S SYNDROME 患者)血清(103/122), 胆汁(103), 尿(103/099/123/125 ), 血漿(126) ヒト(幼児性 REFSUM病患者)血漿(126)" "103/122/099/123/125/126/" "bileaciPage249.html" "BA0250" 5.00 "3α,7α,12α-TRIHYDROXY-5α-CHOLEST-23-EN-26-OIC ACID" "C27H44O5" 27.00 44.00 5.00 0.00 0.00 0.00 448 " O 合成 (REF:092)" " ウ" " HO \/\エ\/\" " テ オ カ OH" " /\ォ\" " オカスコ" " /ェ/\/" " オ オ オ" " ト\ヒイ/ナ" " HO H OH" "092/" "メチルエステル-TMS エーテル:678,588,498,461,408,371,343,301,281,253(092)" "092/" "ヒキガエル(BUFO VULGARIS FORMOSUS)胆汁(092)" "092/" "bileaciPage250.html" "BA0251" 5.00 "3α,7α,12α-TRIHYDROXY-5β-CHOLESTAN-26-OIC ACID" "C27H46O5" 27.00 46.00 5.00 0.00 0.00 0.00 450 " O 合成 (REF:132/133/112)" " ウ" " HO \/\/\/\" " テ オ カ OH" " /\ォ\" " オカスコ" " /ェ/\/" " オ オ オ" " ト\/ノ/ナ" " HO H OH" "132/133/112/" "25D型,25L型(132/133/112)25D型 :180-182゚C(133),183-184゚C(112),25L型 :195-196゚C(132),195-196゚C(133),199-201゚C (112)" "25D型/25L型:+28゚/+44゚ +27゚/+43゚(112/133)" "112/133/" "メチルエステル-TMS deriv.:680,665,590,500,410,343,303,281,253 (092)" "25D型 :180-182゚C(133),183-184゚C(112), 25L型 :195-196゚C(132),195-196゚C(133),199-201゚C (112)" "092/133/112/132/" "ウシガエル(RANA CATESBEIANA)胆汁(134/135/033) アリゲーター(ALLIGATOR MISSISSIPPIENSIS)胆汁(136/016/100) ワニ:(CAIMAN CROCODILUS)胆汁(136), (CROCODYLUS NILOTICUS)胆汁(136/137),(CAIMAN SCLEROPS)胆汁(138),(CAIMAN LATIROSTRIS)胆汁(138),(GAVIALIS GA (XENOPUS MULLERI)胆汁(009), (BUFO BUFO VULGARIS)胆汁(009), (BUFO MACULATUS)胆汁(009), (BUFO MARINUS)胆汁(009), (BUFO REGULARIS)胆汁(009), (AUBRIA SUBSIGILLATA)胆汁(009), (DICROGLOSSUS OCCIPITALIS)胆汁(009)," "134/135/033/136/016/100/137/138/139/140/129/040/009/030/106/092/142/108/143/117/118/122/123/125/103/099/104/119/121/120/126/124/113/" "bileaciPage251.html" "BA0252" 5.00 "7α-HYDROXY-3-OXO-4-CHOLESTENOIC ACID" "C27H42O4" 27.00 42.00 4.00 0.00 0.00 0.00 430 " O (REF:144)" " ウ" " \/\/\/\" " オ カ OH" " /\ォ\" " オカスコ" " /ェ/\/" " オ オ オ" " エ\キ\/ナ" " O OH" "144/" "メチルエステル-TMS-エーテル:516,501,426,411,395,394,269,224,209,174,162(144)" "144/" "ヒト血液 (144)" "144/" "bileaciPage252.html" "BA0253" 5.00 "5-CHOLESTENE-3β,7α,12α,24-TETROL" "C27H46O4" 27.00 46.00 4.00 0.00 0.00 0.00 434 " OH (REF:145)" " ッ" " HO \/\/\/" " テ オ カ" " /\ォ\" " オカスコ" " /ェ/\/" " オ オ オ" " /\/ク/ナ" " HO OH" "145/" "TMS エーテル:632,542,499,452,409,341,319,251,145,129 (145)" "145/" "ヒト(3β-HYDROXY-△5-C27-STEROID DEHYDROGENASE欠損症患者)胆汁, 尿 (145)" "145/" "bileaciPage253.html" "BA0254" 5.00 "5-CHOLESTENE-3β,7α,12α,25-TETROL" "C27H46O4" 27.00 46.00 4.00 0.00 0.00 0.00 434 " (REF:145)" " HO \/\/\/" " テ オ カ\" " /\ォ\ OH" " オカスコ" " /ェ/\/" " オ オ オ" " /\/ク/ナ" " HO OH" "145/" "TMS エーテル:632,542,452,411,341,251,131 (145)" "145/" "ヒト(3β-HYDROXY-△5-C27-STEROID DEHYDROGENASE欠損症患者)胆汁, 尿 (145)" "145/" "bileaciPage254.html" "BA0255" 5.00 "3β,7α-DIHYDROXY-5-CHOLESTENOIC ACID" "C27H44O4" 27.00 44.00 4.00 0.00 0.00 0.00 432 " O (REF:144)" " ウ" " \/\/\/\" " オ カ OH" " /\ォ\" " オカスコ" " /ェ/\/" " オ オ オ" " /\/ク/ナ" " HO OH" "144/" "メチルエステル-TMS エーテル:575,500,485 (144)" "144/" "ヒト血液 (144) ヒト(3β-HYDROXY-△5-C27-STEROID DEHYDROGENASE欠損症患者)血漿 (145)" "144/145/" "bileaciPage255.html" "BA0256" 5.00 "5-CHOLESTENE-3β,7α,12α,26-TETROL" "C27H46O4" 27.00 46.00 4.00 0.00 0.00 0.00 434 " (REF:145)" " HO \/\/\/\" " テ オ カ OH" " /\ォ\" " オカスコ" " /ェ/\/" " オ オ オ" " /\/ク/ナ" " HO OH" "145/" "TMS エーテル:632,542,452,341,251,103(145)" "145/" "ヒト(3β-HYDROXY-△5-C27-STEROID DEHYDROGENASE欠損症患者)胆汁, 尿 (145)" "145/" "bileaciPage256.html" "BA0257" 5.00 "5-CHOLESTENE-3β,7α,26-TRIOL" "C27H46O3" 27.00 46.00 3.00 0.00 0.00 0.00 418 " (REF:145)" " \/\/\/\" " オ カ OH" " /\ォ\" " オカスコ" " /ェ/\/" " オ オ オ" " /\/ク/ナ" " HO OH" "145/" "TMS エーテル:634,544,454,253,233,208,129,103 (145)" "145/" "ヒト(3β-HYDROXY-△5-C27-STEROID DEHYDROGENASE欠損症患者)胆汁, 尿 (145)" "145/" "bileaciPage257.html" "BA0258" 5.00 "27-NOR-5-CHOLESTENE-3β,7α,12α,24,25-PENTOL" "C26H44O5" 26.00 44.00 5.00 0.00 0.00 0.00 436 " OH (REF:145)" " オ" " HO \/\/\/" " テ オ カ" " /\ォ\ OH" " オカスコ" " /ェ/\/" " オ オ オ" " /\/ク/ナ" " HO OH" "145/" "TMS エーテル:706,589,499,409,341,319,251,209,129,117 (145)" "145/" "ヒト(3β-HYDROXY-△5-C27-STEROID DEHYDROGENASE欠損症患者)胆汁, 尿 (145)" "145/" "bileaciPage258.html" "BA0259" 5.00 "5-CHOLESTENE-3β,7α,12α,24,25-PENTOL" "C27H46O5" 27.00 46.00 5.00 0.00 0.00 0.00 450 " OH (REF:145)" " オ" " HO \/\/\/" " テ オ カ\" " /\ォ\ OH" " オカスコ" " /ェ/\/" " オ オ オ" " /\/ク/ナ" " HO OH" "145/" "TMS-エーテル:720,630,540,131 (145)" "145/" "ヒト(3β-HYDROXY-△5-C27-STEROID DEHYDROGENASE欠損症患者)胆汁, 尿 (145)" "145/" "bileaciPage259.html" "BA0260" 5.00 "5-CHOLESTENE-3β,7α,25,26-TETROL" "C27H46O4" 27.00 46.00 4.00 0.00 0.00 0.00 434 " (REF:145)" " \/\/\/\" " オ カ\ OH" " /\ォ\ OH" " オカスコ" " /ェ/\/" " オ オ オ" " /\/ク/ナ" " HO OH" "145/" "TMS エーテル:722,632,619,529,439,349,343,253,219,129,103(145)" "145/" "ヒト(3β-HYDROXY-△5-C27-STEROID DEHYDROGENASE欠損症患者)胆汁, 尿 (145)" "145/" "bileaciPage260.html" "BA0261" 5.00 "5-CHOLESTENE-3β,7α,12α,25,26-PENTOL" "C27H44O5" 27.00 46.00 5.00 0.00 0.00 0.00 450 " (REF:145)" " HO \/\/\/\" " テ オ カ\ OH" " /\ォ\ OH" " オカスコ" " /ェ/\/" " オ オ オ" " /\/ク/ナ" " HO OH" "145/" "TMS エーテル:720,707,630,617,540,527,437,347,341,251,219(145)" "145/" "ヒト(3β-HYDROXY-△5-C27-STEROID DEHYDROGENASE欠損症患者)胆汁, 尿 (145)" "145/" "bileaciPage261.html" "BA0262" 5.00 "3β,7α,12α-TRIHYDROXY-5-CHOLESTENOIC ACID" "C27H44O5" 27.00 44.00 5.00 0.00 0.00 0.00 448 " O (REF:145)" " ウ" " HO \/\/\/\" " テ オ オ OH" " /\ォ\" " オカスコ" " /ェ/\/" " オ オ オ" " /\/ク/ナ" " HO OH" "145/" "メチルエステル-TMS-エーテル: 678,588,341,251,209,129 (145)" "145/" "ヒト(3β-HYDROXY-△5-C27-STEROID DEHYDROGENASE欠損症患者)血漿 (145)" "145/" "bileaciPage262.html" "BA0263" 5.00 "3α,7α,22-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "22-HIDROXYCHENODEOXYCHOLIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " OH O 合成 (REF:146)" " ッウ" " \/イ/\" " オ OH" " /\ォ\" " オカスコ" " /ェ/\/" " オ オ オ" " ト\/・/ナ" " HO H OH" "146/147/" "22R体141-142゚C(146) 22S体251-252゚C(147) 247-250゚C(146)" "22R体 +1.0゚(146) 22S体 -10゚(147) +2.4゚(146)" "146/147/" "3400cm-1, 1720cm-1 (146,147)" "1H-NMR 22R体/22S体 0.69/0.74(s,18-H3) 0.97/0.96(s,19-H3) 1.17/1.16(d,J=6Hz 21-H3) 3.4-4.4/3.4-4.4(m,3β,7β,22-H)(146) 13C-NMR 22R体/22S体:43.1/42.0(C-20) 12.8/12.4(C-21) 71.2/70.9(C-22) 36.5/ 41.5(C-23) (146)""" "メチルエステル-TMS-エーテル:623,548,533,458,443,368,353,344,295,284,269,255,254,247,227,213 (146)" "146/147/" "22S体 イサキ(PARAPRISTIPOMA TRILINEATUM)胆汁 (147) ザイール河魚 POLYPTERUS SENEGALUS胆汁 (015) MORMYRUS CABALLUS胆汁 (015) CHRYSICHTHYS SP.胆汁 (015) MALAPTERURUS ELECTRICUS胆汁 (015) SCHILKE MYSTUS胆汁 (015)" "147/015/" "かってHAEMULCHOLIC ACIDと呼ばれた(147)" "bileaciPage263.html" "BA0264" 5.00 "3α,7α,12α-TRIHYDROXY-5β-CHOL-22-EN-24-OIC ACID" "C24H38O5" 24.00 38.00 5.00 0.00 0.00 0.00 406 " O 合成 (REF:148)" " ウ" " HO \/ケ/\" " ツ オ OH" " /\ォ\" " オカスコ" " /ェ/\/" " オ オ オ" " ト\/・/ナ" " HO H OH" "148/" "22E型 メチルエステル 181-183゚C(148)" "148/" "22E型 メチルエステル:1650,1730,3400 (148)" "22E型 メチルエステル 0.78(s,18-H3), 0.97(s,19-H3), 1.28(d,J=6Hz 21-H3), 3.65(s,COOCH3), 3.60(m,3β-H), 3.98(m,7β-H), 4.09(m,12β-H), 5.82(d,J=15.3Hz,23-H), 6.95(dd,J=15.3Hz AND 7.2Hz,22-H) (148)""" "22E型 メチルエステル-TMS エーテル: 636, 621, 546, 531, 456, 441, 366, 351, 433, 343, 253, 243 (148,100)" "148/100/" "アリゲーター(ALLIGATOR MISSISSIPPIENSIS)胆汁 (100)" "100/" "bileaciPage264.html" "BA0265" 5.00 "3α,7α-DIHYDROXY-5β-CHOL-22-EN-24-OIC ACID" "C24H38O4" 24.00 38.00 4.00 0.00 0.00 0.00 390 " O 合成 (REF:148)" " ウ" " \/ケ/\" " オ OH" " /\ォ\" " オカスコ" " /ェ/\/" " オ オ オ" " ト\/・/ナ" " HO H OH" "148/" "22E型メチルエステル非結晶性(148)" "148/" "22E型 メチルエステル:1650,1730,3400 (148)" "22E型 メチルエステル 0.68(s,18-H3) 0.95(s,19-H3) 1.03(d,J=6Hz 21-H3) 3.65(s,COOCH3) 3.60(m,3β-H) 3.93(m,7β-H) 5.82(d,J=15.3Hz,23-H) 6.89(dd, J=15.3Hz 7.2Hz,22-H) (148)""" "22E型 メチルエステル-TMS-エーテル: 458,443,368,353,255,243 (100,148)" "100/148/" "アリゲーター(ALLIGATOR MISSISSIPPIENSIS)胆汁 (100)" "100/" "bileaciPage265.html" "BA0266" 5.00 "3α,7α,12α-TRIHYDROXY-5α-CHOL-22-EN-24-OIC ACID" "C24H38O5" 24.00 38.00 5.00 0.00 0.00 0.00 406 " O (REF:100)" " ウ" " HO \/ケ/\" " ツ オ OH" " /\ォ\" " オカスコ" " /ェ/\/" " オ オ オ" " ト\/ハ/ナ" " HO H OH" "100/" "メチルエステル-TMS-エーテル:456,366,343,259,253,243 (100)" "100/" "アリゲーター(ALLIGATOR MISSISSIPPIENSIS)胆汁 (100)" "100/" "bileaciPage266.html" "BA0267" 5.00 "5α-CHOLESTANE-3α,7α,12α,23,25-PENTOL" "C27H48O5" 27.00 48.00 5.00 0.00 0.00 0.00 452 " (REF:149)" " HO \/\/\/" " ツ オ ッカ\" " /\ォ\ OH OH" " オカスコ" " /ェ/\/" " オ オ オ" " ト\/ハ/ナ" " HO H OH" "149/" "238-239゚C(149)" "149/" "23S体 1H-NMR(149) 0.72(18-H3)/0.80(19-H3)/1.04(21-H3)/1.23,1.27(26-H3,27-H3)/3.97(3β-H)/(7β-H)/3.94(12β-H)/4.01(23-H) 13C-NMR(149)C1 33.2/C2 29.6/C3 67.3/C4 36.6/C5 32.8/C6 37.8/C7 68.8/C8 41.2/C9 40.6/C10 37.0/C11 29.4/C12 74.0/C13 47.7/C14 43.4/C1" "23S体 メチルエステル-TMS-エーテル: 667,632,577,542,487,452,433,397,362,343,307,281,253,243,131 (149)" "149/" "ヒト(CEREBROTEUDINOUS XANTHOMATOSIS患者)尿 (149)" "149/" "bileaciPage267.html" "BA0268" 5.00 "5α-CHOLESTANE-3α,7α,26,27-TETROL" "12-DEOXY-5α-CYPRINOL" "C27H48O4" 27.00 48.00 4.00 0.00 0.00 0.00 436 " (REF:040)" " \/\/\/\" " オ オ OH" " /\ォ\ \" " オカスコ OH" " /\ォ\/" " オ オ オ" " ト\/ハ/ナ" " HO H OH" "040/" "合成品(040)" "040/" "bileaciPage268.html" "BA0269" 5.00 "5α-CHOLEST-25-ENE-3α,7α,12α,26-TETROL" "C27H46O4" 27.00 46.00 4.00 0.00 0.00 0.00 434 " (REF:011)" " HO \/\/\/\OH" " ツ オ セ" " /\ォ\" " オカスコ" " /\ォ\/" " オ オ オ" " ト\/ハ/ナ" " HO H OH" "011/" "221 - 224゚C(011)" "011/" "3340, 890 (011)" "0,81(3H,s, 18-CH3), 0.91(3H,s, 19-CH3), 1.20(3H,d, J=6Hz,21-CH3), 4.09(1H,m, 3β-H), 4.24(2H,m, 7β-H,12β-H), 4.35(2H,s, 26-CH2-OH), 4.94,5.41(2H,s, 27=CH2) (011)" "011/" "合成品(011)" "011/" "bileaciPage269.html" "BA0270" 5.00 "5α-CHOLEST-25-ENE-3α,7α,12α-TRIOL" "C27H46O3" 27.00 46.00 3.00 0.00 0.00 0.00 418 " (REF:037)" " HO \/\/\エ" " ツ オ オ" " /\ォ\" " オカスコ" " /\ォ\/" " オ オ オ" " ト\/ハ/ナ" " HO H OH" "037/" "215゚C(037)" "037/" "合成品(037)" "037/" "bileaciPage270.html" "BA0271" 5.00 "5α-CHOLESTANE-3α,7α,25-TRIOL" "C27H48O3" 27.00 48.00 3.00 0.00 0.00 0.00 420 " (REF:151)" " \/\/\/" " オ ノ" " /\ォ\ OH" " オカスコ" " /\ォ\/" " オ オ オ" " ト\/ハ/ナ" " HO H OH" "151/" "197-198゚C(151)" "151/" "3333, 1230, 1158, 1095, 1078, 1063, 1034, 1020, 1005, 957, 904 (151)" "402, 384, 369, 366, 351, 289, 273, 271, 264, 255, 253, 249, 246, 231(151)" "151/" "合成品(151)" "151/" "bileaciPage271.html" "BA0272" 5.00 "5β-CHOLESTANE-3α,7α,12α,22,26-PENTOL" "C27H48O5" 27.00 48.00 5.00 0.00 0.00 0.00 452 " OH (REF:098)" " ッ" " HO \/\/\/\" " ツ オ オ OH" " /\ォ\" " オカスコ" " /\ォ\/" " オ オ オ" " ト\/ノ/ナ" " HO H OH" "098/" "22S体 137-139゚C, 22R体結晶せず(098)" "098/" "3400 (098)" "0.92(3H,s, 18-CH3), 1.04(3H,s, 19-CH3), 1.15(3H,d, J=6Hz,27-CH3), 1.45(3H,d, J=6Hz, 21-CH3), 3.65-4.43(6H,m, 3β-H,7β-H,12β-H,22-H,26-CH2) (098)""" "AS TMS ETHER 453, 363, 343, 261, 253, 171, 129, 103 (098)" "098/" "合成品(098)" "098/" "bileaciPage272.html" "BA0273" 5.00 "5β-CHOLESTANE-3α,7α,12α,23,26-PENTOL" "C27H48O5" 27.00 48.00 5.00 0.00 0.00 0.00 452 " (REF:098)" " HO \/\/\/\" " ツ オ ッ オ OH" " /\ォ\ OH" " オカスコ" " /\ォ\/" " オ オ オ" " ト\/ノ/ナ" " HO H OH" "098/" "23R体 非結晶性, 22S体 213-215゚C(098)" "098/" "3400 (098)" "23R体/23S体 087/0.88(3H,s, 18-CH3), 1.01/1.02(3H,s, 19-CH3), 1.15/1.24(3H,d, J=6Hz,27-CH3), 1.36/1.43(3H,d, J=6Hz,21-CH3), 3.69-4.36/3.70-4.35(6H, 3β-H,7β-H,12β-H,23-H,26-CH2)(098)""" "AS TMS ETHER 542, 452, 363, 343, 253, 247, 157 (098)" "098/" "合成品(098)" "098/" "bileaciPage273.html" "BA0274" 5.00 "5β-CHOLESTANE-3α,7α,12α,22-TETROL" "C27H48O4" 27.00 48.00 4.00 0.00 0.00 0.00 436 " OH (REF:069)" " ッ" " HO \/\/\/" " ツ オ オ" " /\ォ\" " オカスコ" " /\ォ\/" " オ オ オ" " ト\/ノ/ナ" " HO H OH" "069/" "22R体 127-128.5゚C, 22S体 203-204゚C(069)" "22R体 +34゚, 22S体 +20゚ (069)" "069/" "3400, 1080, 1040, 1020, 980, 950, 915 (069)" "22R体/22S体 087/0.92(3H,s, 18-CH3), 1.02/1.04(3H,s, 19-CH3), 1.46/1.46(3H,d, J=6Hz,21-CH3),0.86,0.89/0.89(6H,d, J=6Hz,26-CH3,27-CH3), 3.70/3.66(1H,m,3β-H),4.08/4.06(1H,m,7β-H), 4.28/4.30(1H,m, 12β-H), 3.94/3.93(1H,m, 22-H) (069)""" "AS TMS ETHER 724, 653, 634, 563, 544, 473, 454, 383, 364, 293, 253, 173 (069)" "069/" "合成品(069)" "069/" "bileaciPage274.html" "BA0275" 5.00 "3α,7α,12α-TRIHYDROXY-5β-CHOLESTAN-23-ONE" "C27H46O4" 27.00 46.00 4.00 0.00 0.00 0.00 434 " (REF:069)" " HO \/\/\/" " ツ オ セ オ" " /\ォ\ O" " オカスコ" " /\ォ\/" " オ オ オ" " ト\/ノ/ナ" " HO H OH" "069/" "173 - 174゚C(069)" "069/" "3400, 1710, 1080, 1040, 980, 950, 915 (069)" "069/" "合成品(069)" "069/" "bileaciPage275.html" "BA0276" 5.00 "5β-CHOLEST-25-ENE-3α,7α,12α,23-TETROL" "C27H46O4" 27.00 46.00 4.00 0.00 0.00 0.00 434 " (REF:152)" " HO \/\/\キ" " ツ オ ッ オ" " /\ォ\ OH" " オカスコ" " /\ォ\/" " オ オ オ" " ト\/ノ/ナ" " HO H OH" "152/" "23R体 非結晶性, 23S体 194.5 - 195゚C(152)" "23R体 +40.3゚, 23S体 +44.2゚(152)" "152/" "3400, 890 (152)" "23R体/23S体 087/0.88(3H,s, 18-CH3), 1.01/1.01(3H,s, 19-CH3), 1.37/1.41(3H,d, J=6Hz,21-CH3),1.83/1.89(3H,s, 27-CH3),3.5-4.4/3.5-4.4(4H,m,3β-H,7β-H, 12β-H,23-H), 4.98/4.98(2H,s, 26-CH2)(152)""" "AS TMS ETHER 667, 577, 487, 397, 307, 343, 253 (152)" "152/" "合成品(152)" "152/" "bileaciPage276.html" "BA0277" 5.00 "3α,7α,12α-TRIHYDROXY-5β-CHOLESTAN-24-ONE" "C27H46O4" 27.00 46.00 4.00 0.00 0.00 0.00 434 " O (REF:072)" " セ" " HO \/\/\/" " ツ オ オ" " /\ォ\" " オカスコ" " /\ォ\/" " オ オ オ" " ト\/ノ/ナ" " HO H OH" "072/" "141 - 142゚C (072)" "072/" "合成品(072)" "072/" "bileaciPage277.html" "BA0278" 5.00 "5β-CHOLEST-25-ENE-3α,7α,12α,24-TETROL" "C27H46O4" 27.00 46.00 4.00 0.00 0.00 0.00 434 " OH (REF:067)" " ッ" " HO \/\/\キ" " ツ オ オ" " /\ォ\" " オカスコ" " /\ォ\/" " オ オ オ" " ト\/ノ/ナ" " HO H OH" "067/" "24R体 168.5-170゚C, 24S体 190-190.5゚C(067)" "067/" "24R体/24S体 0.84/0.83(3H,s, 18-CH3), 1.01/1.01(3H,s, 19-CH3), 1.26/1.26(3H,d, J=6Hz,21-CH3),1.88/1.88(3H,s, 27-CH3), 3.4-4.5/3.4-4.5(4H,m, 3β-H,7β-H,12β-H,24-H),4.98,5.20/4.94,5.18(2H,s, 26-CH2)(067)""" "067/" "合成品(067)" "067/" "bileaciPage278.html" "BA0279" 5.00 "5β-CHOLESTANE-3α,7β,12α,25-TETROL" "C27H48O4" 27.00 48.00 4.00 0.00 0.00 0.00 436 " (REF:027)" " HO \/\/\/" " ツ オ カシOH" " /\ォ\" " オカスコ" " /\ォ\/" " オ オ オ" " ト\/ノ/ヤ" " HO H OH" "027/" "160 - 161.5゚C (027)" "027/" "3350 (027)" "0.82(3H,s, 18-CH3), 0.99(3H,s, 19-CH3), 1.20(3H,d, J=6Hz,21-CH3), 1.34(6H, sx2, 26- AND 27-CH3),3.72(2H,m, 3β-H,7α-H), 4.13(1H,m,12β-H) (027)""" "027/" "合成品(027)" "027/" "bileaciPage279.html" "BA0280" 5.00 "3α,7α,12α-TRIHYDROXY-5β-CHOLESTAN-26-AL" "C27H46O4" 27.00 46.00 4.00 0.00 0.00 0.00 434 " O (REF:153/154)" " セ" " HO \/\/\/" " ツ オ オ" " /\ォ\" " オカスコ" " /\ォ\/" " オ オ オ" " ト\/ノ/ナ" " HO H OH" "153/154/" "結晶として単離されていない(153/154)" "153/154/" "3400, 1710 (153)" "434, 416, 402, 398, 384, 380, 365, 289, 271, 253, 227, 211 AS TMS ETHER 545, 470, 455, 380, 365, 343, 253, 226, 211 (154)" "153/154/" "合成品(153/154)" "153/154/" "bileaciPage280.html" "BA0281" 5.00 "7α,12α,26-TRIHYDROXY-5β-CHOLESTAN-3-ONE" "C27H46O4" 27.00 46.00 4.00 0.00 0.00 0.00 434 " (REF:154)" " HO \/\/\/\" " ツ オ オ OH" " /\ォ\" " オカスコ" " /\ォ\/" " オ オ オ" " エ\/ノ/ナ" " O H OH" "154/" "AS TMS ETHER 650, 635, 560, 545, 470, 455, 347, 269, 251 (154)" "154/" "合成品(154)" "154/" "bileaciPage281.html" "BA0282" 5.00 "7α,12α-DIHYDROXY-3-OXO-5β-CHOLESTAN-26-AL" "C27H44O4" 27.00 44.00 4.00 0.00 0.00 0.00 432 " O (REF:154)" " セ" " HO \/\/\/" " ツ オ オ" " /\ォ\" " オカスコ" " /\ォ\/" " オ オ オ" " エ\/ノ/ナ" " O H OH" "154/" "AS TMS ETHER 432, 414, 399, 396, 381, 287, 273, 269, 251 (154)" "154/" "合成品(154)" "154/" "bileaciPage282.html" "BA0283" 5.00 "5β-CHOLESTANE-3β,7α,25-TRIOL" "C27H48O3" 27.00 48.00 3.00 0.00 0.00 0.00 420 " (REF:155)" " \/\/\/" " オ カシOH" " /\ォ\" " オカスコ" " /\ォ\/" " オ オ オ" " ユ\/ノ/ナ" " HO H OH" "155/" "157 - 160゚C(155)" "155/" " 402, 387, 384, 369, 366, 351, 289, 273, 271, 255, 253 (155)" "155/" "合成品(155)" "155/" "bileaciPage283.html" "BA0284" 5.00 "5β-CHOLESTANE-3β,7α,12α,25-TETROL" "C27H48O4" 27.00 48.00 4.00 0.00 0.00 0.00 436 " (REF:155)" " HO \/\/\/" " ツ オ カシOH" " /\ォ\" " オカスコ" " /\ォ\/" " オ オ オ" " ユ\/ノ/ナ" " HO H OH" "155/" "半結晶体" "436, 418, 400, 382, 364, 271, 253 (155)" "155/" "合成品(155)" "155/" "bileaciPage284.html" "BA0285" 5.00 "7α,12α,25-TRIHYDROXY-5β-CHOLESTAN-3-ONE" "C27H46O4" 27.00 46.00 4.00 0.00 0.00 0.00 434 " (REF:156)" " HO \/\/\/" " ツ オ カシOH" " /\ォ\" " オカスコ" " /\ォ\/" " オ オ オ" " エ\/ノ/ナ" " O H OH" "156/" "198 - 199.5゚C(156)" "156/" "3426, 1701, 1148, 1095, 1078, 1040, 979, 937 (156)" "156/" "合成品(156)" "156/" "bileaciPage285.html" "BA0286" 5.00 "7α,12α,25-TRIHYDROXYCHOLEST-4-EN-3-ONE" "C27H44O4" 27.00 44.00 4.00 0.00 0.00 0.00 432 " (REF:156)" " HO \/\/\/" " ツ オ カシOH" " /\ォ\" " オカスコ" " /\ォ\/" " オ オ オ" " エ\キ\/ナ" " O OH" "156/" "222 - 223゚C(156)" "156/" "λ243nm ε= 14.834 (156)" "3367, 1672, 1639, 1230, 1190, 1160, 1086, 1047, 1007, 954, 919, 862 (156)" "432, 414, 396, 378, 376, 358, 315, 267, 261, 124 (156)" "156/" "合成品(156)" "156/" "bileaciPage286.html" "BA0287" 5.00 "7α,25-DIHYDROXY-5β-CHOLESTAN-3-ONE" "C27H46O3" 27.00 46.00 3.00 0.00 0.00 0.00 418 " (REF:156)" " \/\/\/" " オ カシOH" " /\ォ\" " オカスコ" " /\ォ\/" " オ オ オ" " エ\/ノ/ナ" " O H OH" "156/" "180 - 181゚C(156)" "156/" "3484, 3412, 1709, 1098, 1077, 1037, 1007, 980 (156)" " 0.71(3H,s, 18-CH3), 0.97(3H,d, 21-CH3), 1.01(3H,s, 19-CH3), 1.23(6H,s, 26- & 27-CH3), 3.98(1H,m, 7β-H) (156)" "156/" "合成品(156)" "156/" "bileaciPage287.html" "BA0288" 5.00 "7α,25-DIHYDROXYCHOLEST-4-EN-3-ONE" "C27H44O3" 27.00 44.00 3.00 0.00 0.00 0.00 416 " (REF:156)" " \/\/\/" " オ カシOH" " /\ォ\" " オカスコ" " /\ォ\/" " オ オ オ" " エ\キ\/ナ" " O OH" "156/" "205 - 206゚C(156)" "156/" "λ243nm ε= 16.470 (156)" "3333, 1661, 1618, 1234, 1193, 1156, 1149, 1044, 1030, 952, 940, 913 (156)" "0.71(3H,s, 18-CH3), 0.93(3H,d, 21-CH3), 1.19(9H,s, 19-CH3,26- & 27-CH3), 3.9 (1H,m, 7β-H), 5.75(1H, 4-H) (156)" "416, 398, 380, 342, 269, 267, 124 (156)" "156/" "合成品(156)" "156/" "bileaciPage288.html" "BA0289" 5.00 "5β-CHOLEST-25-ENE-3α,7α,12α,26-TETROL" "C27H46O4" 27.00 46.00 4.00 0.00 0.00 0.00 434 " (REF:010)" " HO \/\/\/\" " ツ オ セ OH" " /\ォ\" " オカスコ" " /\ォ\/" " オ オ オ" " ト\/ノ/ナ" " HO H OH" "010/" "結晶として単離されていない(010)" "010/" "合成品(010)" "010/" "bileaciPage289.html" "BA0290" 5.00 "5β-CHOLESTANE-3α,7α-DIOL" "C27H48O2" 27.00 48.00 2.00 0.00 0.00 0.00 404 " (REF:157)" " \/\/\/" " オ オ" " /\ォ\" " オカスコ" " /\ォ\/" " オ オ オ" " ト\/ノ/ナ" " HO H OH" "157/" "84 - 86゚C(157)" "+14.1゚ (157)" "157/" "合成品(157)" "157/" "bileaciPage290.html" "BA0291" 5.00 "5β-CHOLESTAN-3α-OL" "C27H48O1" 27.00 48.00 1.00 0.00 0.00 0.00 388 " (REF:157)" " \/\/\/" " オ オ" " /\ォ\" " オカスコ" " /\ォ\/" " オ オ オ" " ト\/ノ/" " HO H" "157/" "116 - 118゚C(157)" "+30.7゚ (157)" "157/" "合成品(157)" "157/" "bileaciPage291.html" "BA0292" 5.00 "5β-CHOLESTANE-3α,12α-DIOL" "C27H48O2" 27.00 48.00 2.00 0.00 0.00 0.00 404 " (REF:157)" " HO \/\/\/" " ツ オ オ" " /\ォ\" " オカスコ" " /\ォ\/" " オ オ オ" " ト\/ノ/" " HO H" "157/" "108 - 110゚C(157)" "+45.0゚ (157)" "157/" "合成品(157)" "157/" "bileaciPage292.html" "BA0293" 5.00 "7α-HYDROXY-5β-CHOLESTAN-3-ONE" "C27H46O2" 27.00 46.00 2.00 0.00 0.00 0.00 402 " (REF:158)" " \/\/\/" " オ オ" " /\ォ\" " オカスコ" " /\ォ\/" " オ オ オ" " エ\/ノ/ナ" " O H OH" "158/" "120 - 121゚C(158)" "158/" "合成品(158)" "158/" "bileaciPage293.html" "BA0294" 5.00 "7α,12α-DIHYDROXY-5β-CHOLESTAN-3-ONE" "C27H46O3" 27.00 46.00 3.00 0.00 0.00 0.00 418 " (REF:159)" " HO \/\/\/" " ツ オ オ" " /\ォ\" " オカスコ" " /\ォ\/" " オ オ オ" " エ\/ノ/ナ" " O H OH" "159/" "209 - 210゚C(159)" "+42.6゚(159)" "159/" "合成品(159)" "159/" "bileaciPage294.html" "BA0295" 5.00 "7α,12α-DIHYDROXYCHOLEST-4-EN-3-ONE" "C27H44O3" 27.00 44.00 3.00 0.00 0.00 0.00 416 " (REF:159)" " HO \/\/\/" " ツ オ オ" " /\ォ\" " オカスコ" " /\ォ\/" " オ オ オ" " エ\キ\/ナ" " O OH" "159/" "228 - 229゚C(159)" "+85.0゚(159)" "159/" "λ243nm ε= 16.800 (159)" "159/" "合成品(159)" "159/" "bileaciPage295.html" "BA0296" 5.00 "5β-CHOLEST-24-ENE-3α,7α-DIOL" "C27H46O2" 27.00 46.00 2.00 0.00 0.00 0.00 402 " (REF:063/160)" " \/\/ケ/" " オ オ" " /\ォ\" " オカスコ" " /\ォ\/" " オ オ オ" " ト\/ノ/ナ" " HO H OH" "063/160/" "DIACETATE 67 - 69゚C(063/160)" "063/160/" "826 (063/160)" "063/160/" "合成品(063/060)" "063/060/" "bileaciPage296.html" "BA0297" 5.00 "5β-CHOLEST-25-ENE-3α,7α-DIOL" "C27H46O2" 27.00 46.00 2.00 0.00 0.00 0.00 402 " (REF:063/160)" " \/\/\エ" " オ オ" " /\ォ\" " オカスコ" " /\ォ\/" " オ オ オ" " ト\/ノ/ナ" " HO H OH" "063/160/" "DIACETATE 69 - 72゚C(063/160)" "063/160/" "890 (063/160)" "063/160/" "合成品(063/060)" "063/060/" "bileaciPage297.html" "BA0298" 5.00 "5β-CHOLESTANE-3α,7α,24,25-TETROL" "C27H48O4" 27.00 48.00 4.00 0.00 0.00 0.00 436 " OH (REF:160)" " ッ" " \/\/\/" " オ カシOH" " /\ォ\" " オカスコ" " /\ォ\/" " オ オ オ" " ト\/ノ/ナ" " HO H OH" "160/" "24R体 201 - 203゚C, 24S体 203 - 204゚C(160)" "24R体 +17.8゚, 24S体 +3.0゚ (160)" "160/" "24S体 3290, 1455, 1365, 1155, 1118, 1104, 1067, 1036, 990, 967, 902, 890 24R体 3385, 1460, 1442, 1371, 1164, 1155, 1122, 1106, 1067, 1054, 1023, 992, 970, 906, 890 (160)" "24R体/24S体 68/66(3H,s, 18-CH3), 91/91(3H,s, 19-CH3), 94/94.5(3H,d,J=7Hz,21-CH3), 123,126/123,126(6H,s, 26,27-CH3) (160)" "AS TMS ETHER 709, 634, 593, 529, 503, 413, 323, 283, 255, 131 (160)" "160/" "合成品(160)" "160/" "bileaciPage298.html" "BA0299" 5.00 "5β-CHOLESTANE-3α,24,25-TRIOL" "C27H48O3" 27.00 48.00 3.00 0.00 0.00 0.00 420 " OH (REF:160)" " ッ" " \/\/\/" " オ カシOH" " /\ォ\" " オカスコ" " /\ォ\/" " オ オ オ" " ト\/ノ/" " HO H" "160/" "24R体 148 - 150゚C, 24S体 162 - 164゚C(160)" "24R体 +40.0゚, 24S体 +17.3゚(160)" "160/" "24R体 3300, 1455, 1445, 1370, 1140, 1075, 1028, 980, 956, 945, 936, 918, 898 24S体 3320, 1457, 1445, 1372, 1150, 1033, 960, 920 (160)" "24R体/24S体 65/64(3H,s, 18-CH3), 92/92(3H,s, 19-CH3), 92/94(3H,d,J=7Hz,21-CH3), 114,118/117,122(6H,sx2, 26,27-CH3) (160)" "AS TMS ETHER 636, 621, 531, 505, 456, 441, 415, 351, 345, 325, 257, 255, 215, 131 (160)" "160/" "合成品(160)" "160/" "bileaciPage299.html" "BA0300" 5.00 "5β-CHOLEST-24-EN-3α-OL" "C27H46O1" 27.00 46.00 1.00 0.00 0.00 0.00 386 " (REF:160)" " \/\/ケ/" " オ オ" " /\ォ\" " オカスコ" " /\ォ\/" " オ オ オ" " ト\/ノ/" " HO H" "160/" "非結晶性(160)" "160/" "ACETATE 1736, 1660, 1460, 1445, 1375, 1360, 1245, 1025, 825 (160)" "160/" "合成品(160)" "160/" "bileaciPage300.html" "BA0301" 5.00 "5β-CHOLEST-25-EN-3α-OL" "C27H46O1" 27.00 46.00 1.00 0.00 0.00 0.00 386 " (REF:160)" " \/\/\キ" " オ オ" " /\ォ\" " オカスコ" " /\ォ\/" " オ オ オ" " ト\/ノ/" " HO H" "160/" "非結晶性(160)" "160/" "ACETATE 1728, 1650, 1465, 1450, 1370, 1350, 1255, 1025, 950, 930, 890 (160)" "160/" "合成品(160)" "160/" "bileaciPage301.html" "BA0302" 5.00 "5β-CHOLESTANE-3α,26-DIOL" "C27H48O2" 27.00 48.00 2.00 0.00 0.00 0.00 404 " (REF:161)" " \/\/\/\" " オ オ OH" " /\ォ\" " オカスコ" " /\ォ\/" " オ オ オ" " ト\/ノ/" " HO H" "161/" "150 - 155゚C(161)" "161/" "3300 (160)" "160/" "合成品(160)" "160/" "bileaciPage302.html" "BA0303" 5.00 "3α-HYDROXY-5β-CHOLESTAN-26-AL" "C27H46O2" 27.00 46.00 2.00 0.00 0.00 0.00 402 " O (REF:161)" " セ" " \/\/\/" " オ オ" " /\ォ\" " オカスコ" " /\ォ\/" " オ オ オ" " /\/ノ/" " HO H" "161/" "非結晶性(161)" "161/" "3400, 1720 (161)" "161/" "合成品(161)" "161/" "bileaciPage303.html" "BA0304" 5.00 "7α-HYDROXYCHOLEST-4-EN-3-ONE" "C27H44O2" 27.00 44.00 2.00 0.00 0.00 0.00 400 " (REF:162)" " \/\/\/" " オ オ" " /\ォ\" " オカスコ" " /\ォ\/" " オ オ オ" " エ\キ\/ナ" " O OH" "162/" "183 - 184゚C(162)" "+67゚ (162)" "162/" "λ242.5nm ε= 16.100 (162)" "162/" "合成品(162)" "162/" "bileaciPage304.html" "BA0305" 5.00 "12α-HYDROXYCHOLEST-4-EN-3-ONE" "C27H44O2" 27.00 44.00 2.00 0.00 0.00 0.00 400 " (REF:163)" " HO \/\/\/" " ツ オ オ" " /\ォ\" " オカスコ" " /\ォ\/" " オ オ オ" " エ\キ\/" " O" "163/" "142 - 143゚C(163)" "+86゚ (163)" "163/" "λ241nm ε= 17.500 (163)" "163/" "合成品(163)" "163/" "bileaciPage305.html" "BA0306" 5.00 "12α-HYDROXY-5β-CHOLESTAN-3-ONE" "C27H46O2" 27.00 46.00 2.00 0.00 0.00 0.00 402 " (REF:163)" " HO \/\/\/" " ツ オ オ" " /\ォ\" " オカスコ" " /\ォ\/" " オ オ オ" " エ\/ノ/" " O H" "163/" "122゚C(163)" "+51゚ (163)" "163/" "合成品(163)" "163/" "bileaciPage306.html" "BA0307" 5.00 "7β-HYDROXYCHOLEST-4-EN-3-ONE" "C27H44O2" 27.00 44.00 2.00 0.00 0.00 0.00 400 " (REF:162)" " \/\/\/" " オ オ" " /\ォ\" " オカスコ" " /\ォ\/" " オ オ オ" " エ\キ\/\" " O OH" "162/" "182 - 183゚C(162)" "+62゚ (162)" "162/" "合成品(162)" "162/" "bileaciPage307.html" "BA0308" 5.00 "5β-CHOLEST-24-ENE-3α,7α,12α-TRIOL" "C27H46O3" 27.00 46.00 3.00 0.00 0.00 0.00 418 " (REF:039)" " HO \/\/ケ/" " ツ オ オ" " /\ォ\" " オカスコ" " /\ォ\/" " オ オ オ" " ト\/ノ/ナ" " HO H OH" "039/" "171゚C(039)" "039/" "3650, 1645 (039)" "039/" "合成品(039)" "039/" "bileaciPage308.html" "BA0309" 5.00 "3α,6α,7α,12α-TETRAHYDROXY-5β-CHOLEST-24-EN-26-OIC ACID" "C27H44O6" 27.00 44.00 6.00 0.00 0.00 0.00 464 " O (REF:115)" " セ" " HO \/\/ケ/\" " ツ オ オ OH" " /\ォ\" " オカスコ" " /\ォ\/" " オ オ オ" " ト\/ノ/ナ" " HO H ツ OH" " OH" "115/" "非結晶(115)" "115/" " 0.80(3H,s, 18-CH3), 1.04(3H,s, 19-CH3), 1.24(3H,d,J=6Hz,21-CH3), 1.90(3H,s, 27-CH3), 3.68-3.82(1H,m, 3β-H), 4.20-4.30(3H,m, 6β-H,7β-H,12β-H), 6.94(1H,t, J=9Hz,24-H)(115)" "115/" "合成品(115)" "115/" "bileaciPage309.html" "BA0310" 5.00 "3α,7α-DIHYDROXY-12-OXO-5α-CHOLESTAN-26-OIC ACID" "C27H44O5" 27.00 44.00 5.00 0.00 0.00 0.00 448 " O (REF:127)" " セ" " O \/\/\/\" " セ オ オ OH" " /\ォ\" " オカスコ" " /\ォ\/" " オ オ オ" " ト\/ハ/ナ" " HO H OH" "127/" "メチルエステル・ジアセタート 138 - 139゚C(127)" "メチルエステル・ジアセタート +60゚ (127)" "127/" "メチルエステル・ジアセタート 1727, 1700, 1243, 1089, 1030, 1022, 963, 936, 873, 849 (127)" "349, 289 (12-ケトステロイドに特徴的なフラグメント) (127)" "127/" "合成品(127)" "127/" "bileaciPage310.html" "BA0311" 5.00 "3α,7α-DIHYDROXY-5α-CHOLESTAN-26-OIC ACID" "C27H46O4" 27.00 46.00 4.00 0.00 0.00 0.00 434 " O (REF:127/164/165)" " セ" " \/\/\/\" " オ オ OH" " /\ォ\" " オカスコ" " /\ォ\/" " オ オ オ" " ト\/ハ/ナ" " HO H OH" "127/164/165/" "248 - 250゚C(127/164)" "0゚ (164)" "127/164/" "3389, 3305, 1706, 1302, 1262, 1234, 1209, 1090, 1069, 1042, 1033, 1000, 961, 888 (127)" "メチルエステル 448, 430, 412, 399, 273, 255, 249, 231, 213 (127)" "127/" "合成品(127/164/165)" "127/164/165/" "BA0312" 5.00 "3β,7α-DIHYDROXY-5α-CHOLESTAN-26-OIC ACID" "C27H46O4" 27.00 46.00 4.00 0.00 0.00 0.00 434 " O (REF:164)" " セ" " \/\/\/\" " オ オ OH" " /\ォ\" " オカスコ" " /\ォ\/" " オ オ オ" " ユ\/ハ/ナ" " HO H OH" "164/" "251 - 253゚C(164)" "164/" "3400, 3252, 1712, 1229, 1155, 1087, 1033, 1028, 943 (164)" "164/" "合成品(164)" "164/" "BA0313" 5.00 "7α-HYDROXY-5α-CHOLESTAN-26-OIC ACID" "C27H44O4" 27.00 44.00 4.00 0.00 0.00 0.00 432 " O (REF:164)" " セ" " \/\/\/\" " オ オ OH" " /\ォ\" " オカスコ" " /\ォ\/" " オ オ オ" " エ\/ハ/ナ" " O H OH" "164/" "7-アセタート 211 - 213゚C(164)" "164/" "7-アセタート 1731, 1695, 1250, 1157, 1022, 938 (164)" "164/" "合成品(164)" "164/" "BA0314" 5.00 "3,7,12-TRIOXO-25-HOMO-5α-CHOLAN-25-OIC ACID" "C25H36O5" 25.00 36.00 5.00 0.00 0.00 0.00 416 " (REF:058)" " OH" " O \/\/\/" " セ オ セ" " /\ォ\ O" " オカスコ" " /\ォ\/" " オ オ オ" " エ\/ハ/ケ" " O H O" "058/" "206 - 211゚C(058)" "058/" "合成品(058)" "058/" "BA0315" 5.00 "3α,7α-DIHYDROXY-25-HOMO-5α-CHOLAN-25-OIC ACID" "C25H42O4" 25.00 42.00 4.00 0.00 0.00 0.00 406 " (REF:151)" " OH" " \/\/\/" " オ セ" " /\ォ\ O" " オカスコ" " /\ォ\/" " オ オ オ" " ト\/ハ/ナ" " HO H OH" "151/" "メチルエステル 122゚C(151)" "151/" "メチルエステル 3367, 1748, 1270, 1239, 1209, 1169, 1034, 1005, 961, 887 (151)" "メチルエステル TMS エーテル 564, 549, 474, 459, 384, 369, 345, 225, 243, 228, 213 (151)" "151" "合成品(151)" "151/" "BA0316" 5.00 "3,7-DIOXO-25-HOMO-5α-CHOLAN-25-OIC ACID" "C25H38O4" 25.00 38.00 4.00 0.00 0.00 0.00 402 " (REF:151)" " OH" " \/\/\/" " オ セ" " /\ォ\ O" " オカスコ" " /\ォ\/" " オ オ オ" " エ\/ハ/ケ" " O H O" "151/" "メチルエステル 188 - 189゚C(151)" "151/" "合成品(151)" "151/" "BA0317" 5.00 "3,7-DIOXO-5α-CHOLESTAN-26-OIC ACID" "C27H42O4" 27.00 42.00 4.00 0.00 0.00 0.00 430 " O (REF:165)" " セ" " \/\/\/\" " オ オ OH" " /\ォ\" " オカスコ" " /\ォ\/" " オ オ オ" " エ\/ハ/ケ" " O H O" "165/" "メチルエステル 124 - 125゚C(165)" "165/" "メチルエステル 2940, 2860, 1739, 1723, 1708, 1164 (165)" "メチルエステル 0.67(3H,s, 18-CH3), 0.90(3H,d,J=6Hz,21-CH3), 1.14(3H,d, J=7Hz,27-CH3), 1.25(3H,s, 19-CH3), 1.80-2.60(8H,m, 2-CH2,4-CH2,6-CH2,25CH), 3.67(3H,s, CH3 ESTER) (165)" "メチルエステル 444, 426, 412, 384, 287, 269, 260, 247, 246, 245 (165)" "165" "合成品(165)" "165/" "BA0318" 5.00 "5α-CHOLESTANE-3α,7α,12α-TRIOL" "C27H48O3" 27.00 48.00 3.00 0.00 0.00 0.00 420 " (REF:166)" " HO \/\/\/" " ツカ オ" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ハ/ナ" " HO H OH" "166/" "251゚C(166)" "166/" "化学合成品(166)" "166/" "BA0319" 5.00 "7α,12α-DIHYDROXY-5α-CHOLESTAN-3-ONE" "C27H46O3" 27.00 46.00 3.00 0.00 0.00 0.00 418 " (REF:166)" " HO \/\/\/" " ツカ オ" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " エ\/ハ/ナ" " O H OH" "166/" "190-192゚C(166)" "166/" "化学合成品(166)" "166/" "BA0320" 5.00 "3α,12α-DIHYDROXY-5β-CHOLESTAN-7-ONE" "C27H46O3" 27.00 46.00 3.00 0.00 0.00 0.00 418 " (REF:167)" " HO \/\/\/" " ツカ オ" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ハ/ケ" " HO H O" "167/" "140゚C(167)" "167/" "(CDCl3) 0.68(s,CH3-18),0.86(d,J=6Hz,CH3-26/27),0.96(d,J=6Hz,CH3-21), 1.17(s,CH3-19),3.54(m,b,CH-3),4.02(m,b,CH-12) (167)" "167/" "化学合成品(167)" "167/" "BA0321" 5.00 "CHOLEST-4-ENE-3α,7α,12α-TRIOL" "C27H46O3" 27.00 46.00 3.00 0.00 0.00 0.00 418 " (REF:166)" " HO \/\/\/" " ツカ オ" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\キ\/ナ" " HO OH" "166/" "208-210゚C(166)" "166/" "化学合成品(166)" "166/" "BA0322" 5.00 "24-NOR-5β-CHOLESTANE-3α,7α,12α,23,25-PENTOL" "C26H46O5" 26.00 46.00 5.00 0.00 0.00 0.00 438 " OH (REF:083)" " ォ" " HO \/\/\" " ツカ カ" " /\ォ\ OH" " オカスコ" " /\ォ\/" " オカ カ" " ト\/ノ/ナ" " HO H OH" "083/" "172-175゚C(083)" "083/" "(KBr DISC) 3390cm-1 (083)" "CDCl3+DMSO(d6) 0.68(s,3H,18-CH3),0.84(s,3H,18-CH3),0.99(d,J=6Hz,3H,21-CH3), 1.04(s,3H,26-CH3),1.08(s,3H,27-CH3)(083)" "AS TMS DERIVATIVE M/E 667,618,577,529,487,439,397,349,307 (083)" "083/" "化学合成品(083)" "083/" "BA0323" 5.00 "24-NOR-5β-CHOLESTANE-3α,7α,12α,23-TETROL" "C26H46O4" 26.00 46.00 4.00 0.00 0.00 0.00 422 " (REF:168)" " オ" " HO \/\/\" " ツカ カ" " /\ォ\ OH" " オカスコ" " /\ォ\/" " オカ カ" " ト\/ノ/ナ" " HO H OH" "168/" "23(S) 115-118゚C, 23R 246-247゚C(168)" "23S +26.67゚, 23R 43.34゚ (168)" "168/" "化学合成品(168)" "168/" "BA0324" 5.00 "24-NOR-5β-CHOLESTANE-3α,7α,12α,26-TETROL" "C26H46O4" 26.00 46.00 4.00 0.00 0.00 0.00 422 " (REF:168)" " オ OH" " HO \/\/\/" " ツカ" " /\ォ\" " オカスコ" " /\ォ\/" " オカ カ" " ト\/\/ナ" " HO OH" "168/" "25S 178-181゚C, 25R 59-61゚C(168)" "25S +29.0゚, 25R +40.0゚ (168)" "168/" "化学合成品(168)" "168/" "BA0325" 5.00 "(22R)-24-NOR-5β-CHOLESTANE-3α,7α,22,25-TETROL" "C26H46O4" 26.00 46.00 4.00 0.00 0.00 0.00 422 " HO OH (REF:147)" " テ ヌ" " \/\/\" " カ" " /\ォ\" " オカスコ" " /\ォ\/" " オカ カ" " ト\/ノ/ナ" " HO H OH" "147/" "193゚C(147)" "147/" "化学合成品(147)" "147/" "BA0326" 5.00 "24-NOR-5β-CHOLESTANE-3α,7α,23,25-TETROL" "C26H46O4" 26.00 46.00 4.00 0.00 0.00 0.00 422 " OH (REF:169)" " ヌ" " \/\/\" " カ カ" " /\ォ\ OH" " オカスコ" " /\ォ\/" " オカ カ" " ト\/ノ/ナ" " HO H OH" "169/" "189.5-190.5゚C(23β),182.5-183゚C(23α)(169)" "+30゚(23β), -9゚(23α) (169)" "169/" "(KBr DISC) cm-1 (23β)3420,2930,1460,1370,1070,993,972,893,850 (23α)3400,2930,1458,1370,1070,992,970,891,848 (169)" "M/E AS TMS DERIVATIVES (23β)579,530,489,440,399,384,309,253,243,131 (23α)579,489,440,399,384,309,253,243,131 (169)" "169/" "化学合成品(169)" "169/" "BA0327" 5.00 "24-NOR-5β-CHOLESTANE-3α,7α,25,26-TETROL" "C26H46O4" 26.00 46.00 4.00 0.00 0.00 0.00 422 " OH (REF:169)" " ヌ OH" " \/\/\/" " カ" " /\ォ\" " オカスコ" " /\ォ\/" " オカ カ" " ト\/ノ/ナ" " HO H OH" "169/" "182.5-183゚C(169)" "169/" "(KBr DISC) cm-1 3400,2930,2865,1456,1380,1073,975 (169)" "AS TMS DERIVATIVE M/E 710,607,517,427,350,337,255,253,243,219,173 (169)" "169/" "化学合成品(169)" "169/" "BA0328" 5.00 "24-NOR-5β-CHOLESTANE-3α,7α,12α-TRIOL" "C26H46O3" 26.00 46.00 3.00 0.00 0.00 0.00 406 " (REF:083/168)" " オ" " HO \/\/\" " ツカ" " /\ォ\" " オカスコ" " /\ォ\/" " オカ カ" " ト\/ノ/ナ" " HO H OH" "083/168/" "182-184゚C(168/083)" "+31.23 (168)" "168/083/" "KBr DISC cm-1 3370,1360-1380(THREE PEAKS) (083)" "CDCl3 0.64(s,3H,18-CH3), 0.84(s,3H,19-CH3), 0.96(d,J=6Hz,3H,21-CH3), 0.84(d,J=6Hz,3H,26-CH3), 0.92(d,J=6Hz,3H,27-CH3) (083)" "AS TMS DERIVATIVE M/E 622,546,532,461,456,442,433,371,352,343,281 (083)" "083/" "化学合成品(083/168)" "083/168/" "BA0329" 5.00 "24-NOR-5β-CHOLEST-23-ENE-3α,7α,12α-TRIOL" "C26H44O3" 26.00 44.00 3.00 0.00 0.00 0.00 404 " (REF:083/168)" " オ" " HO \/\キ\" " ツカ" " /\ォ\" " オカスコ" " /\ォ\/" " オカ カ" " ト\/ノ/ナ" " HO H OH" "083/168/" "190-191゚C(083)" "083/" "KBr DISC cm-1 3375,1365-1395 (083)" "CDCl3 0.68(s,3H,18-CH3), 0.88(s,3H,19-CH3), 0.94(d,J=6Hz,3H,21-CH3), 1.60(s,3H,26-CH3), 1.68(s,3H,27-CH3) (083)" "TMS DERIVATIVE M/E 564,530,481,474,461,440,391,384,371,350,344,301,294, 254,253,211 (083)" "083/" "化学合成品(083/168)" "083/168/" "BA0330" 5.00 "24-NOR-5β-CHOLEST-25-ENE-3α,7α,12α-TRIOL" "C26H44O3" 26.00 44.00 3.00 0.00 0.00 0.00 404 " (REF:083/168)" " オ" " HO \/\/ケ" " ツカ" " /\ォ\" " オカスコ" " /\ォ\/" " オカ カ" " ト\/ノ/ナ" " HO H OH" "083/168/" "166-169゚C(083)" "083/" "KBr DISC cm-1 3375,883 (083)" "AS TMS DERIVATIVE M/E 620,530,461,440,391,371,350,301,281,211 (083)" "083/" "化学合成品(083/168)" "083/168/" "BA0331" 5.00 "24-NOR-5β-CHOLESTANE-3α,7β,25-TRIOL" "C27H46O3" 27.00 46.00 3.00 0.00 0.00 0.00 418 " OH (REF:108)" " ヌ" " \/\/\" " カ" " /\ォ\" " オカスコ" " /\ォ\/" " オカ カ" " ト\/ノ/\" " HO H OH" "108/" "154-155゚C(108)" "108/" "PYRIDINE-d5 0.74(s,3H,18-CH3),0.98(s,3H,19-CH3),1.05(d,J=6Hz,3H,21-CH3), 1.43(s,6H,26-CH3,27-CH3),3.60-4.00(m,2H,3β-H,7α-H) (108)" "108/" "化学合成品(108)" "108/" "BA0332" 5.00 "27-NOR-5β-CHOLESTANE-3α,7α,12α,26-TETROL" "C26H46O4" 26.00 46.00 4.00 0.00 0.00 0.00 422 " (REF:028)" " HO \/\/\/\" " ツカ OH" " /\ォ\" " オカスコ" " /\ォ\/" " オカ カ" " ト\/ノ/ナ" " HO H OH" "028/" "202゚C(028)" "028/" "化学合成品(028)" "028/" "BA0333" 5.00 "3α,7α,12α-TRIHYDROXY-27-NOR-5β-CHOLESTAN-25-ONE" "C26H44O4" 26.00 44.00 4.00 0.00 0.00 0.00 420 " (REF:038)" " HO \/\/\/" " ツカ セ" " /\ォ\ O" " オカスコ" " /\ォ\/" " オカ カ" " ト\/ノ/ナ" " HO H OH" "038/" "162゚C(038)" "038/" "C 73.89, H 10.40(CALCD C 74.24, H 10.54) (038)" "038/" "化学合成品(038)" "038/" "C73.89 H101.40(CALCD C74.24 H10.54)" "BA0334" 5.00 "27-NOR-5β-CHOLESTANE-3α,7α,12α-TRIOL" "C26H46O3" 26.00 46.00 3.00 0.00 0.00 0.00 406 " (REF:170)" " HO \/\/\/" " ツカ" " /\ォ\" " オカスコ" " /\ォ\/" " オカ カ" " ト\/ノ/ナ" " HO H OH" "170/" "187.5-189゚C(170)" "170/" "化学合成品(170)" "170/" "BA0335" 5.00 "27-NOR-5β-CHOLEST-24-ENE-3α,7α,12α-TRIOL" "C26H44O3" 26.00 44.00 3.00 0.00 0.00 0.00 404 " (REF:051)" " HO \/\/ク/" " ツカ" " /\ォ\" " オカスコ" " /\ォ\/" " オカ カ" " ト\/ノ/ナ" " HO H OH" "051/" "182゚C(051)" "051/" "KBr DISC cm-1 3400 (051)" "PYRIDINE-d5 0.81(3H,s,18-CH3),0.99(3H,s,19-CH3),1.21(3H,d,J=6Hz,21-CH3), 1.62(3H,m,26-CH3),3.45-4.40(3H,m,3β-H,7β-H,and 12β-H), 5.46(2H,m,-CH=CH-) (051)" "051/" "化学合成品(051)" "051/" "BA0336" 5.00 "26,27-DINOR-5α-CHOLESTANE-3α,7α,12α,24-TETROL" "C25H44O4" 25.00 44.00 4.00 0.00 0.00 0.00 408 " OH (REF:009)" " オ" " HO \/\/\" " ツカ" " /\ォ\" " オカスコ" " /\ォ\/" " オカ カ" " ト\/ハ/ナ" " HO H OH" "009/" "RANA PIPIENS(009)" "009/" "BA0337" 5.00 "26,27-DINOR-5β-CHOLESTANE-3α,7α,12α,25-TETROL" "C25H44O4" 25.00 44.00 4.00 0.00 0.00 0.00 408 " (REF:028)" " OH" " HO \/\/\/" " ツカ" " /\ォ\" " オカスコ" " /\ォ\/" " オカ カ" " ト\/ノ/ナ" " HO H OH" "028/" "202゚C(028)" "028/" "化学合成品 (028)" "028/" "BA0338" 5.00 "26,27-DINOR-5β-CHOLESTANE-3α,7α,12α-TRIOL" "C25H44O3" 25.00 44.00 3.00 0.00 0.00 0.00 392 " (REF:036)" " HO \/\/\" " ツカ" " /\ォ\" " オカスコ" " /\ォ\/" " オカ カ" " ト\/ノ/ナ" " HO H OH" "036/" "185-186゚C(036)" "036/" "化学合成品 (036)" "036/" "BA0339" 5.00 "3α,7α,12α-TRIHYDROXY-5α-CHOLAN-24-AL" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " O (REF:033)" " セ" " HO \/\/\" " ツカ H" " /\ォ\" " オカスコ" " /\ォ\/" " オカ カ" " ト\/ハ/ナ" " HO H OH" "033/" "CHCl3 AS TRIACETATE cm-1 2720,1725,1735,1250,1050 (033)" "033/" "化学合成品 (033)" "033/" "BA0340" 5.00 "3α,7α,12α-TRIHYDROXY-5β-CHOLAN-24-AL" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " O (REF:004/092/167)" " セ" " HO \/\/\" " ツカ H" " /\ォ\" " オカスコ" " /\ォ\/" " オカ カ" " ト\/ノ/ナ" " HO H OH" "004/092/167/" "150゚C(004)" "004/" "cm-1 2820,2720,1725 (004)" "PYRIDINE-d5 (AS TRIACETATE) 0.67(3H,s,18-CH3),0.83(3H,s,19-CH3), 0.84(3H,d,J=6Hz,21-CH3),1.97(6H,s,2x-OCOCH3),2.03(3H,s,-OCOCH3), 4.70(1H,m,3β-H),5.05(1H,m,7β-H),5.23(1H,m,12β-H), 9.83(1H,t,J=3Hz,-CHO) (107)" "004/107/" "化学合成品 (004/092/167)" "004/092/167/" "BA0341" 5.00 "5β-CHOLANE-3α,6α,24-TRIOL" "C24H42O3" 24.00 42.00 3.00 0.00 0.00 0.00 378 " (REF:171)" " \/\/\" " カ OH" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/" " HO H ツ" " OH" "171/" "150-155゚C(171)" "171/" "CD3OD 0.69(3H,s,18-CH3),0.93(3H,s,19-CH3),0.95(3H,d,J=6.6Hz,21-CH3), 3.50(3H,m,3β-H and 24-H2),4.00(1H,m,6β-H) (171)" "171/" "化学合成品 (171)" "171/" "BA0342" 5.00 "5β-CHOLANE-3α,7α,12α-TRIOL" "C24H42O3" 24.00 42.00 3.00 0.00 0.00 0.00 378 " (REF:036)" " HO \/\/" " ツカ" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/ナ" " HO H OH" "036/" "186-188゚C(036)" "036/" "化学合成品 (036)" "036/" "BA0343" 5.00 "5β-CHOLANE-3α,7α,24-TRIOL" "C24H42O3" 24.00 42.00 3.00 0.00 0.00 0.00 378 " (REF:172)" " \/\/\" " カ OH" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/ナ" " HO H OH" "172/" "99-100゚C(172)" "172/" "CD3OD 0.69(3H,s,18-CH3),0.93(3H,s,19-CH3),0.97(3H,d,J=6.6Hz,21-CH3), 3.38(1H,m,3β-H),3.51(2H,m,24-CH2OH),3.79(1H,m,7β-H) (172)" "172/" "化学合成品 (172)" "172/" "BA0344" 5.00 "5β-CHOLANE-3α,7β,24-TRIOL" "C24H42O3" 24.00 42.00 3.00 0.00 0.00 0.00 378 " (REF:172)" " \/\/\" " カ OH" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/\" " HO H OH" "172/" "163-164゚C(172)" "172/" "KBr DISC cm-1 3400 (172)" "CD3OD 0.71(3H,s,18-CH3),0.96(3H,s,19-CH3),0.97(3H,d,J=6.6Hz,21-CH3), 3.50(4H,m,3β-H,7α-H and 24-CH2OH) (172)" "172/" "化学合成品 (172)" "172/" "BA0345" 5.00 "5β-CHOLANE-3α,12α,24-TRIOL" "C24H42O3" 24.00 42.00 3.00 0.00 0.00 0.00 378 " (REF:171/173)" " HO \/\/\" " ツカ OH" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/" " HO H" "171/173/" "118-120゚C(171)" "171/" "CD3OD 0.71(3H,s,18-CH3),0.93(3H,s,19-CH3),1.01(3H,d,J=6.4Hz,21-CH3), 3.51(3H,m,3β-H and 24-CH2OH),3.96(1H,m,12β-H) (171)" "171/" "化学合成品 (171/173)" "171/173/" "BA0346" 5.00 "3α,7α-DIHYDROXY-5β-CHOLAN-24-AL" "C24H40O3" 24.00 40.00 3.00 0.00 0.00 0.00 376 " O (REF:105)" " セ" " \/\/\" " カ H" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/ナ" " HO H OH" "105/" "cm-1 2720,1720 (105)" "105/" "化学合成品 (105)" "105/" "BA0347" 5.00 "24-NOR-5β-CHOLANE-3α,7α,12α,22,23-PENTOL" "C23H40O5" 23.00 40.00 5.00 0.00 0.00 0.00 396 " OH (REF:010)" " / OH" " HO \/\/" " ツカ" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/ナ" " HO H OH" "010/" "202゚C(010)" "010/" "3400,1075,1020,990,920,894 (010)" "010/" "化学合成品 (010)" "010/" "BA0348" 5.00 "3α,7α,12α-TRIHYDROXY-24-NOR-5β-CHOLAN-23-AL" "C23H38O4" 23.00 38.00 4.00 0.00 0.00 0.00 378 " (REF:152/174)" " O" " HO \/\キ" " ツカ カ" " /\ヌ\ H" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/ナ" " HO H OH" "152/174/" "80-85゚C (AS TRIACETATE)(174)" "174/" "cm-1 3400,1740 (152)" "PYRIDINE-d5 0.81(3H,s,18-CH3),1.00(3H,s,19-CH3),1.23(3H,d,J=6Hz,21-CH3),3.70(1H,m,3β-H),4.09(1H,m,7β-H),4.19(1H,m,12β-H), 9.83(1H,t,J=3Hz,23-CHO) (152)" "M/E 504,460,444,401,400,384,340,324,313,280,253 (174)" "152/174/" "化学合成品 (152/174)" "152/174/" "BA0349" 5.00 "24-NOR-5β-CHOLANE-3α,7α,12α,23-TETROL" "C23H40O4" 23.00 40.00 4.00 0.00 0.00 0.00 380 " (REF:171)" " OH" " HO \/\/" " ツカ" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/ナ" " HO H OH" "171/" "215-220゚C (171)" "171/" "CD3OD 0.72(3H,s,18-CH3),0.92(3H,s,19-CH3),1.02(3H,d,J=6.6Hz,21-CH3), 3.36(1H,m,3β-H),3.55 and 3.63(2H,m,23-H),3.79(1H,m,7β-H), 3.95(1H,m,12β-H) (171)" "171/" "化学合成品 (171)" "171/" "BA0350" 5.00 "24-NOR-5β-CHOLANE-3α,7α,22,23-TETROL" "C23H40O4" 23.00 40.00 4.00 0.00 0.00 0.00 380 " OH (REF:146)" " カ OH" " \/\/" " カ" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/ナ" " HO H OH" "146/" "22S 138.5-140゚C, 22R 229-230゚C (146)" "22S +8.2゚, 22R +0.7゚ (146)" "146/" "3400cm-1 (KBr DISC)(146)" "PYRIDINE-d5 22S:0.71(3H,s,18-CH3),0.97(3H,s,19-CH3),1.24(3H,d,J=6Hz,21-CH3) 3.4-4.4(5H,m,CH-OH's)22R:0.77(3H,s,18-CH3),0.97(3H,s,19-CH3),1.21(3H,d,J=6Hz,21-CH3) 3.4-4.4(5H,m,CH-OH's) (146)" "AS TMS DERIVATIVE 565,475,385,345,295,255 (146)" "146/" "化学合成品 (146)" "146/" "BA0351" 5.00 "24-NOR-5β-CHOLANE-3α,7β,22,23-TETROL" "C23H40O4" 23.00 40.00 4.00 0.00 0.00 0.00 380 " OH (REF:148)" " カ OH" " \/\/" " カ" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/\" " HO H OH" "148/" "208-210゚C (148)" "148/" "3400cm-1 (148)" "PYRIDINE-d5 0.71(3H,s,18-CH3),0.95(3H,s,19-CH3),1.15(3H,s,J=6Hz,21-CH3), 3.4-4.3(5H,m,3β-,7α-,22-,23-H) (148)" "148/" "化学合成品 (148)" "148/" "BA0352" 5.00 "24-NOR-5β-CHOLANE-3α,12α,22,23-TETROL" "C23H40O4" 23.00 40.00 4.00 0.00 0.00 0.00 380 " OH (REF:146)" " カ OH" " HO \/\/" " ツカ" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/" " HO H" "146/" "120-122゚C (146)" "146/" "3400cm-1 (146)" "PYRIDINE-d5 0.78(3H,s,18-CH3),0.93(3H,s,19-CH3),1.34(3H,d,J=6Hz,21-CH3), 3.4-4.3(5H,m,3β-,12β-,22- AND 23-H) (146)" "146/" "化学合成品 (146)" "146/" "BA0353" 5.00 "24-NOR-5β-CHOLANE-3α,6α,23-TRIOL" "C23H40O3" 23.00 40.00 3.00 0.00 0.00 0.00 364 " OH (REF:171)" " \/\/" " カ" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/" " HO H ツ" " OH" "171/" "212-215゚C (171)" "171/" "CD3OD 0.70(3H,s,18-CH3),0.93(3H,s,19-CH3),0.96(3H,d,J=6.6Hz,21-CH3),3.51(2H,m,3β-H,23-H),3.61(2H,m,23-H),4.00(1H,m,6β-H) (171)" "171/" "化学合成品 (171)" "171/" "BA0354" 5.00 "24-NOR-5β-CHOLANE-3α,7α,12α-TRIOL" "C23H40O3" 23.00 40.00 3.00 0.00 0.00 0.00 364 " (REF:175)" " HO \/\" " ツカ" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/ナ" " HO H OH" "175/" "200-202゚C (175)" "175/" "化学合成品 (175)" "175/" "BA0355" 5.00 "24-NOR-5β-CHOLANE-3α,7α,23-TRIOL" "C23H40O3" 23.00 40.00 3.00 0.00 0.00 0.00 364 " OH (REF:171)" " \/\/" " カ" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/ナ" " HO H OH" "171/" "247-249゚C (171)" "171/" "CD3OD 0.70(3H,s,18-CH3),0.93(3H,s,19-CH3),0.96(3H,J=6.6Hz,21-CH3), 3.35(1H,m,3β-H),3.54 AND 3.61(EACH 1H,m,λ3-H),3.79(1H,m,7β-H)(171)" "171/" "化学合成品 (171)" "171/" "BA0356" 5.00 "24-NOR-5β-CHOLANE-3α,7β,23-TRIOL" "C23H40O3" 23.00 40.00 3.00 0.00 0.00 0.00 364 " OH (REF:171)" " \/\/" " カ" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/\" " HO H OH" "171/" "179-181゚C (171)" "171/" "CD3OD 0.72(3H,s,18-CH3),0.96(3H,s,19-CH3),0.96(3H,d,J=6.6Hz,21-CH3),3.48(2H,m,3β-H AND 7α-H),3.54 AND 3.61(EACH 1H,m,23-H) (171)" "171/" "化学合成品 (171)" "171/" "BA0357" 5.00 "24-NOR-5β-CHOLANE-3α,12α,23-TRIOL" "C23H40O3" 23.00 40.00 3.00 0.00 0.00 0.00 364 " OH (REF:171)" " HO \/\/" " ツカ" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/" " HO H" "171/" "210-212゚C (171)" "171/" "CD3OD 0.72(3H,s,18-CH3),0.93(3H,s,19-CH3),1.01(3H,d,J=6.6Hz,21-CH3), 3.54(2H,m,3β-H AND 23-H),3.61(1H,m,23-H),3.96(1H,m,12β-H) (171)" "171/" "化学合成品 (171)" "171/" "BA0358" 5.00 "24-NOR-5β-CHOL-22-ENE-3α,7α,12α-TRIOL" "C23H38O3" 23.00 38.00 3.00 0.00 0.00 0.00 362 " (REF:068/176)" " HO \/ケ" " ツカ" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/\" " HO H OH" "068/176/" "183-184゚C (068)" "068/" "cm-1 3400,1660,910,890,1075,1020,990,920,894 (068)" "0.85(3H,s,18-CH3),1.00(3H,s,19-CH3),1.33(3H,d,J=6Hz,21-CH3), 3.68-4.30(3H,m,3β-H,7β-H,12β-H),4.75-6.00(3H,m,CH=CH2) (068)" "068/" "化学合成品 (068/176)" "068/176/" "BA0359" 5.00 "24-NOR-5β-CHOL-22-ENE-3α,6α-DIOL" "C23H38O2" 23.00 38.00 2.00 0.00 0.00 0.00 346 " (REF:176)" " \/ケ" " カ" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/" " HO H ツ" " OH" "176/" "151-153゚C (AS 3α-FORMATE) (176)" "176/" "化学合成品 (176)" "176/" "BA0360" 5.00 "24-NOR-5β-CHOL-22-ENE-3α,7α-DIOL" "C23H38O2" 23.00 38.00 2.00 0.00 0.00 0.00 346 " (REF:146/176)" " \/ケ" " カ" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/ナ" " HO H OH" "146/176/" "129.5-130゚C (146)" "146/" "KBr DISC 3400,991,908 (146)" "PYRIDINE-d5 0.72(3H,s,18-CH3),0.97(3H,s,19-CH3),1.06(3H,d,J=6Hz,21-CH3), 3.4-4.4(2H,m,3β-H AND 7β-H),4.9(2H,m,23-H2),5.73(1H,m,22-H)(146)" "AS TMS DERIVATIVE M/E 400,385,345,310,295,255 (146)" "146/" "化学合成品 (146/176)" "146/176/" "BA0361" 5.00 "24-NOR-5β-CHOL-22-ENE-3α,7β-DIOL" "C23H38O2" 23.00 38.00 2.00 0.00 0.00 0.00 346 " (REF:176)" " \/ケ" " カ" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/\" " HO H OH" "176/" "122-124゚C (AS 3α-FORMATE) (176)" "176/" "化学合成品 (176)" "176/" "BA0362" 5.00 "24-NOR-5β-CHOL-22-ENE-3α,12α-DIOL" "C23H38O2" 23.00 38.00 2.00 0.00 0.00 0.00 346 " (REF:176)" " HO \/ケ" " ツカ" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/" " HO H" "176/" "97-99゚C (AS 3α-FORMATE) (176)" "176/" "化学合成品 (176)" "176/" "BA0363" 5.00 "3α-HYDROXY-24-NOR-5β-CHOLAN-23-AL" "C23H38O2" 23.00 38.00 2.00 0.00 0.00 0.00 346 " (REF:177/178)" " O" " \/\キ" " カ オ" " /\ヌ\ H" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/" " HO H" "177/178/" "145゚C (178)" "+13゚ (178)" "178/" "CDCl3,(AS 3α-ACETATE) 0.70(s,18-H3),0.94(s,19-H3),1.00(d,21-H3),2.05(s,Ac) 2.0-2.5(m,22-H2),4.73(m,3β-H),9.76(m,23-H) (177)" "AS 3α-ACETATE M/E 388,373,370,355,344,328,313,284,230,215 (177)" "177/" "化学合成品 (177/178)" "177/178/" "BA0364" 5.00 "3α,7α,12α-TRIHYDROXY-23,24-DINOR-5β-CHOLAN-22-AL" "C22H36O4" 22.00 36.00 4.00 0.00 0.00 0.00 364 " O (REF:068)" " セ" " HO \/\" " ツカ H" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/ナ" " HO H OH" "068/" "KBr DISC cm-1 3400,1720,1075,1020,990,920,894 (068)" "PYRIDINE-d5 0.78(s,3H,18-CH3),1.00(s,3H,19-CH3),1.28(d,3H,21-CH3),3.68-4.09(m,3H,3β-H,7β-H,12β-H),9.64(d,1H,CHO) (068)" "068/" "化学合成品 (068)" "068/" "BA0365" 5.00 "3α,7α-DIHYDROXY-23,24-DINOR-5β-CHOLAN-22-AL" "C22H36O3" 22.00 36.00 3.00 0.00 0.00 0.00 348 " O (REF:146)" " セ" " \/\" " カ H" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/ナ" " HO H OH" "146/" "82.5-83.5゚C (146)" "146/" "cm-1 3400, 1720 (146)" "PYRIDINE-d5 0.68(3H,s,18-CH3),0.96(3H,s,19-CH3),1.08(3H,d,J=6Hz,21-CH3), 3.4-4.4(2H,m,3β-H,7β-H),9.73(1H,d,J=3Hz,-CHO) (146)" "AS TMS DERIVATIVE M/E 492,402,312,292,255 (146)" "146/" "化学合成品 (146)" "146/" "BA0366" 5.00 "3α,7β-DIHYDROXY-23,24-DINOR-5β-CHOLAN-22-AL" "C22H36O3" 22.00 36.00 3.00 0.00 0.00 0.00 348 " O (REF:148)" " セ" " \/\" " カ H" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/\" " HO H OH" "148/" "cm-1 3400, 1720 (148)" "PYRIDINE-d5 0.78(3H,s,18-CH3),0.95(3H,s,19-CH3),1.09(3H,d,J=6Hz,21-CH3), 3.80(2H,m,3β- AND 7α-H),9.53(1H,d,J=3Hz,22-H) (148)" "148/" "化学合成品 (148)" "148/" "BA0367" 5.00 "3α,12α-DIHYDROXY-23,24-DINOR-5β-CHOLAN-22-AL" "C22H36O3" 22.00 36.00 3.00 0.00 0.00 0.00 348 " O (REF:148)" " セ" " HO \/\" " ツカ H" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/" " HO H" "148/" "cm-1 3400, 1720 (148)" "PYRIDINE-d5 0.73(3H,s,18-CH3),0.94(3H,s,19-CH3),1.23(3H,d,J=6Hz,21-CH3), 3.80(1H,m,3β-H),4.07(1H,m,12β-H),9.53(1H,d,J=3Hz,22-H)(148)""" "148/" "化学合成品 (148)" "148/" "BA0368" 5.00 "5β-CHOLANE-3α,24-DIOL" "C24H42O2" 24.00 42.00 2.00 0.00 0.00 0.00 362 " (REF:171/173)" " \/\/\" " カ OH" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/" " HO H" "171/173/" "177-178゚C (171)" "171/" "CD3OD 0.69(3H,s,18-CH3),0.94(3H,s,19-CH3),0.96(3H,d,J=6.2Hz,21-CH3), 3.51(3H,m,3β-H AND 24-CH2OH) (171)" "171/" "化学合成品 (171/173)" "171/173/" "BA0369" 5.00 "3α,7α,12α,24-TETRAHYDROXY-24-ETHYL-5β-CHOLESTAN-26-OIC ACID" "C29H50O6" 29.00 50.00 6.00 0.00 0.00 0.00 494 " \ (REF:179)" " オ COOH" " HO \/\/ノ/" " ツカ HO オ" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/ナ" " HO H OH" "179/" "198.5-199゚C (179)" "179/" "化学合成品 (179)" "179/" "BA0370" 5.00 "3α,7α,12α-TRIHYDROXY-24-ETHYL-5β-CHOLESTAN-26-OIC ACID" "C27H50O5" 27.00 50.00 5.00 0.00 0.00 0.00 454 " \ (REF:179)" " オ COOH" " HO \/\/\/" " ツカ オ" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/ナ" " HO H OH" "179/" "209-210゚C (179)" "179/" "化学合成品 (179)" "179/" "BA0371" 5.00 "3α,7α,12α-TRIHYDROXY-24-CARBOXYMETHYL-5β-CHOLESTAN-26-OIC ACID" "C29H48O7" 29.00 48.00 7.00 0.00 0.00 0.00 508 " HOOC (REF:111)" " \" " カ COOH" " HO \/\/\/" " テ カ オ" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/ナ" " HO H OH" "111/" "AS METHYL ESTER-ACETATE M/E 571,560,542,482,313,253 (111)" "111/" "化学合成品 (111)" "111/" "BA0372" 5.00 "3α,7α,12α-TRIHYDROXY-24-ETHYL-5β-CHOLESTANE-26,27-DIOIC ACID" "C29H48O7" 29.00 48.00 7.00 0.00 0.00 0.00 508 " \ (REF:111)" " オ COOH" " HO \/\/\/" " ツカ オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/ナ" " HO H OH" "111/" "AS METHYL ESTER-ACETATE M/E 662,619,603,602,571,542,482,313,253 (111)" "111/" "化学合成品 (111)" "111/" "BA0373" 5.00 "3α,7α-DIHYDROXY-24-ETHYL-5β-CHOLESTAN-26-OIC ACID" "C29H50O4" 29.00 50.00 4.00 0.00 0.00 0.00 462 " \ (REF:180)" " オ COOH" " \/\/\/" " カ オ" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/ナ" " HO H OH" "180/" "AS METHYL ESTER-TMS M/E 435,411,255 (180)" "180/" "FECES IN SITOSTEROL-FED MONKEY(180)" "180/" "BA0374" 5.00 "3α-HYDROXY-24-ETHYL-5β-CHOLESTAN-26-OIC ACID" "C29H50O3" 29.00 50.00 3.00 0.00 0.00 0.00 446 " \ (REF:180)" " オ COOH" " \/\/\/" " カ オ" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/" " HO H" "180/" "AS METHYL ESTER-TMS M/E 460,435,429,411,257 (180)" "180/" "FECES IN SITOSTEROL FED MONKEY(180)" "180/" "BA0375" 5.00 "3β-HYDROXY-24-ETHYLCHOLEST-5-EN-26-OIC ACID" "C29H48O3" 29.00 48.00 3.00 0.00 0.00 0.00 444 " \ (REF:180)" " オ COOH" " \/\/\/" " カ オ" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " /\/ク/" " HO" "180/" "AS METHYL ESTER-TMS M/E 381,357,255 (180)" "180/" "FECES IN SITOSTEROL FED MONKEY(180)" "180/" "BA0376" 5.00 "3α,7α,12α-TRIHYDROXY-24-METHYL-5β-CHOLEST-23-EN-26-OIC ACID" "C28H46O5" 28.00 46.00 5.00 0.00 0.00 0.00 462 " (REF:091)" " オ COOH" " HO \/\キ\/" " ツカ オ" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/ナ" " HO H OH" "091/" "182゚C (091)" "091/" "化学合成品 (091)" "091/" "BA0377" 5.00 "3α,7α,12α-TRIHYDROXY-5β-CHOLESTANE-24-CARBOXYLIC ACID" "C28H48O5" 28.00 48.00 5.00 0.00 0.00 0.00 464 " COOH (REF:093)" " オ" " HO \/\/\/" " ツカ オ" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/ナ" " HO H OH" "093/" "200゚C (093)" "093/" "化学合成品 (093)" "093/" "BA0378" 5.00 "3α,7α,12α-TRIHYDROXY-5β-CHOLESTANE-26-CARBOXYLIC ACID" "C28H48O5" 28.00 48.00 5.00 0.00 0.00 0.00 464 " (REF:133)" " HO \/\/\/\" " ツカ オ COOH" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/ナ" " HO H OH" "133/" "205-207゚C(25-D), 173-176゚C(25-L) (133)" "+37゚(25-D), +29゚(25-L) (133)" "133/" "化学合成品 (133)" "133/" "BA0379" 5.00 "3α,7α,12α,26-TETRAHYDROXY-5β-CHOLEST-23-EN-27-OIC ACID" "C27H44O6" 27.00 44.00 6.00 0.00 0.00 0.00 464 " (REF:181)" " COOH" " HO \/\キ\/" " ツカ オ" " /\ヌ\ \" " オカスコ OH" " /\ヌ\/" " オカ カ" " ト\/ノ/ナ" " HO H OH" "181/" "METHYL ESTER-TMS M/E 766,751,736,676,586,551,522,496,461,431,406,393,371, 355,281,253,185,103 (181)" "181/" "化学合成品 (181)" "181/" "BA0380" 5.00 "3α,7α,12α-TRIHYDROXY-5α-CHOLESTANE-26,27-DIOIC ACID" "C27H44O7" 27.00 44.00 7.00 0.00 0.00 0.00 480 " (REF:011/033)" " COOH" " HO \/\/\/" " ツカ オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ハ/ナ" " HO H OH" "011/033/" "CHCl3 (AS METHYL ESTER-ACETATE) 1710cm-1 (033)" "PYRIDINE-d5 (AS METHYL ESTER ACETATE) 0.70(s,3H,18-CH3),0.74(s,3H,19-CH3), 0.89(d,J=6Hz,3H,21-CH3),1.93,1.99,2.02(s,3Hx3,3-,7- AND 12-OCOCH3), 3.68(s,6H,26- AND 27-COOCH3),5.14(m,λH,3β- AND 7β-H), 5.26(m,1H,12β-H) (033)" "033/" "化学合成品 (011/033)" "011/033/" "BA0381" 5.00 "3α,7α,12α-TRIHYDROXY-5β-CHOLESTANE-26,27-DIOIC ACID" "C27H44O7" 27.00 44.00 7.00 0.00 0.00 0.00 480 " (REF:010/030)" " COOH" " HO \/\/\/" " ツカ オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/ナ" " HO H OH" "010/030/" "154゚C-156゚C (AS DIETHYL ESTER) (030)" "030/" "KBr DISC (AS DIETHYL ESTER) cm-1 1740, 3440 (030)" "PYRIDINE-d5 (AS DIETHYL ESTER) 0.80(s,3H,18-CH3),1.00(s,3H,19-CH3), 1.14(t,J=7Hz,6H,26- AND 27- COOCH2CH3), 1.20(d,J=6Hz,3H,21-CH3),3.70(m,1H,3β-H),4.07(m,1H,7β-H), 4.18(q,J=7Hz,4H,26- AND 27-COOCH2CH3),4.22(m,1H,12β-H)(030)" "030/" "化学合成品 (010/030)" "010/030/" "BA0382" 5.00 "3α,7α-DIHYDROXY-5β-CHOLESTANE-26,27-DIOIC ACID" "C27H44O6" 27.00 44.00 6.00 0.00 0.00 0.00 464 " (REF:065)" " COOH" " \/\/\/" " カ オ" " /\ヌ\ COOH" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/ナ" " HO H OH" "065/" "CHCl3 (AS DIETHYL ESTER) cm-1 1720, 3400 (065)" "PYRIDINE-d5 (AS DIETHYL ESTER) 0.69(3H,s,18-CH3),0.95(3H,d,J=6Hz,21-CH3), 0.97(3H,s,19-CH3),1.17(6H,t,J=6Hz,2xOCH2CH3),3.67(1H,m,3β-H), 3.95(1H,m,7β-H),4.17(4H,q,J=6Hz,2xOCH2CH3) (065)" "065/" "化学合成品 (065)" "065/" "BA0383" 5.00 "3α,7β-DIHYDROXY-5β-CHOLEST-24-EN-26-OIC ACID" "C27H44O4" 27.00 44.00 4.00 0.00 0.00 0.00 432 " (REF:100)" " COOH" " \/\/ケ/" " カ オ" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/\" " HO H OH" "100/" "KBr DISC cm-1 3400, 1680, 1640 (100)" "PYRIDINE-d5 0.70(3H,s,18-CH3),0.96(3H,s,19-CH3),1.01(3H,d,J=6Hz,21-CH3), 2.05(3H,s,27-CH3),3.70(λH,m,3β-AND 7α-H), 7.02(1H,t,J=6Hz,24-H) (100)" "100/" "化学合成品 (100)" "100/" "BA0384" 5.00 "3α,12α-DIHYDROXY-5β-CHOLEST-24-EN-26-OIC ACID" "C27H44O4" 27.00 44.00 4.00 0.00 0.00 0.00 432 " (REF:100/150)" " COOH" " HO \/\/ケ/" " ツカ オ" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/" " HO H" "100/150/" "KBr DISC cm-1 3500, 1680, 1640 (100)" "PYRIDINE-d5 0.73(3H,s,18-CH3),0.93(3H,s,19-CH3),1.18(3H,d,J=6Hz,21-CH3), 2.03(3H,s,27-CH3),3.75(1H,m,3β-H),4.11(1H,m,12β-H), 7.03(1H,t,J=6Hz,24-H) (100)" "AS METHYL ESTER M/E 446,428,413,410,395,319,301,299,289,283,281,273, 271,255,253 (150)" "100/150/" "化学合成品 (100/150)" "100/150/" "BA0385" 5.00 "3α,7α-DIHYDROXY-24-METHYL-27-NOR-5β-CHOLESTAN-26-OIC ACID" "C27H46O4" 27.00 46.00 4.00 0.00 0.00 0.00 434 " (REF:182)" " オ COOH" " \/\/\/" " カ" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/ナ" " HO H OH" "182/" "179-181゚C(24R), 197-199゚C(24S) (182)" "+18.5゚(24R), +8.7(24S) (182)" "182/" "cm-1 3610, 3440, 1725, 1455, 1430, 1375, 1160, 1070, 970, 890 (182)" "METHYL ESTER M/E 448, 430, 412, 397, 381, 359, 273, 255, 246, 228, 213 (182)" "182/" "化学合成品 (182)" "182/" "BA0386" 5.00 "3α-HYDROXY-5β-CHOLEST-24-EN-26-OIC ACID" "C27H44O3" 27.00 44.00 3.00 0.00 0.00 0.00 416 " (REF:102/150)" " COOH" " \/\/ケ/" " カ オ" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/" " HO H" "102/150/" "188.5゚C (102)" "102/" "(AS METHYL ESTER) λmax 219nm(24E), λmax 212nm(24Z)(150)" "KBr cm-1 1680, 1640 (102)""" "AS METHYL ESTER M/E 412, 397, 303, 285, 283, 273, 257, 255 (150)" "150/" "化学合成品 (102/150)" "102/150/" "BA0387" 5.00 "3α,7α,12α,24-TETRAHYDROXY-27-NOR-5β-CHOLESTAN-26-OIC ACID" "C26H44O6" 26.00 44.00 6.00 0.00 0.00 0.00 452 " OH (REF:042)" " ッ COOH" " HO \/\/\/" " ツカ" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/ナ" " HO H OH" "042/" "AS METHYL ESTER 183.5-184.5゚C(24S),162.5-163.5゚C(24R) (042)" "AS METHYL ESTER +35゚(24S), +30゚(24R) (042)" "042/" "KBr AS METHYL ESTER cm-1 3350, 1710 (042)" "PYRIDINE-d5 AS METHYL ESTER 24S : 0.76(s,3H,18-CH3),0.95(s,3H,19-CH3),1.17(d,J=6Hz,3H,21-CH3), 3.45(s,3H,-COOCH3),3.58(m,1H,3β-H),3.94(m,1H,7β-H),4.08(m,1H,12β-H),4.20(m,1H,24-H) (042)" "042/" "化学合成品 (042)" "042/" "BA0388" 5.00 "3α,7α,12α-TRIHYDROXY-27-NOR-5β-CHOLESTAN-26-OIC ACID" "C26H44O6" 26.00 44.00 5.00 0.00 0.00 0.00 436 " (REF:133/183/184)" " COOH" " HO \/\/\/" " ツカ" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/ナ" " HO H OH" "133/183/184/" "195゚C (133)" "+34゚(ETHANOL)) (133)" "133/" "化学合成品 (133/183/184)" "133/183/184/" "BA0389" 5.00 "3α,7α,12α,23-TETRAHYDROXY-26,27-DINOR-5β-CHOLESTAN-25-OIC ACID" "C25H42O6" 25.00 42.00 6.00 0.00 0.00 0.00 438 " (REF:079/185)" " HO \/\/\" " ツカ ッ COOH" " /\ヌ\ OH" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/\/ナ" " HO OH" "079/185/" "188-189゚C(23R), 238.5-240゚C(23S) (185)" "185/" "KBr AS METHYL ESTER cm-1 23S: 3400,1740, 23R: 3400,1749 (185)" "PYRIDINE-d5 23R:0.84(3H,s,18-CH3),0.98(3H,s,19-CH3),1.33(3H,d,J=6Hz,21-CH3) 3.64(1H,m,3β-H),4.01(1H,m,7β-H),4.21(1H,m,12β-H), 4.61(1H,m,23-H) (185)" "185/" "化学合成品 (079/185)" "079/185/" "BA0390" 5.00 "3α,6β,7α-TRIHYDROXY-26,27-DINOR-5β-CHOLESTAN-25-OIC ACID" "C25H42O5" 25.00 42.00 5.00 0.00 0.00 0.00 422 " (REF:007)" " \/\/\" " カ COOH" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/ナ" " HO H オ OH" " OH" "007/" "240-241.5゚C (007)" "007/" "KBr cm-1 3400,1700 (007)" "PYRIDINE-d5 0.76(s,3H,18-CH3),0.99(d,J=6.6Hz,3H,21-CH3),1.44(s,3H,19-CH3), 3.80(m,1H,3β-H),4.21(m,2H,6α- AND 7β-H) (007)" "007/" "化学合成品 (007)" "007/" "BA0391" 5.00 "3α,7α,12α-TRIHYDROXY-26,27-DINOR-5α-CHOLESTAN-25-OIC ACID" "C25H42O5" 25.00 42.00 5.00 0.00 0.00 0.00 422 " (REF:013)" " HO \/\/\" " テ カ COOH" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ハ/ナ" " HO H OH" "013/" "198-200゚C (013)" "013/" "化学合成品 (013)" "013/" "BA0392" 5.00 "3α,7α,12α-TRIHYDROXY-26,27-DINOR-5β-CHOLESTAN-25-OIC ACID" "C25H42O5" 25.00 42.00 5.00 0.00 0.00 0.00 422 " (REF:076/133/186)" " HO \/\/\" " テ カ COOH" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/ナ" " HO H OH" "076/133/186/" "215-216゚C (133), 215-215.5゚C (186)" "133/186/" "化学合成品 (076/133/186)" "076/133/186/" "BA0393" 5.00 "3α,7β,12α-TRIHYDROXY-26,27-DINOR-5β-CHOLESTAN-25-OIC ACID" "C25H42O5" 25.00 42.00 5.00 0.00 0.00 0.00 422 " (REF:187)" " HO \/\/\" " テ カ COOH" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/\" " HO H OH" "187/" "185.5-186゚C (187)" "187/" "PYRIDINE-d5 0.85(3H,s,18-CH3),1.01(3H,s,19-CH3),1.20(3H,d,J=6Hz,21-CH3), 3.70-4.00(2H,m,3β- AND 7α-H),4.23(1H,m,12β-H) (187)" "187/" "化学合成品 (187)" "187/" "BA0394" 5.00 "3α,12α-DIHYDROXY-7-OXO-26,27-DINOR-5β-CHOLESTAN-25-OIC ACID" "C25H40O5" 25.00 40.00 5.00 0.00 0.00 0.00 420 " (REF:187)" " HO \/\/\" " テ カ COOH" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/ケ" " HO H O" "187/" "213-214゚C (187)" "187/" "PYRIDINE-d5 0.75(3H,s,18-CH3),1.15(3H,d,J=6Hz,21-CH3),1.20(3H,s,19-CH3), 3.80(1H,m,3β-H),4.20(1H,m,12β-H) (187)" "187/" "化学合成品 (187)" "187/" "BA0395" 5.00 "3α,7β-DIHYDROXY-26,27-DINOR-5β-CHOLESTAN-25-OIC ACID" "C25H42O4" 25.00 42.00 4.00 0.00 0.00 0.00 406 " (REF:187)" " \/\/\" " カ COOH" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/\" " HO H OH" "187/" "174-175゚C (187)" "187/" "AS METHYL ESTER-TMS DERIVATIVE M/E 564,549,474,459,384,369,345,255 (187)" "187/" "化学合成品 (187)" "187/" "BA0396" 5.00 "3α,7β-DIHYDROXY-26,27-DINOR-5β-CHOLEST-11-EN-25-OIC ACID" "C25H40O4" 25.00 40.00 4.00 0.00 0.00 0.00 404 " (REF:187)" " \/\/\" " カ COOH" " エ\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/\" " HO H OH" "187/" "PYRIDINE-d5 (AS METHYL ESTER-ACETATE) 0.72(3H,s,18-CH3),0.85(3H,s,19-CH3),0.96(3H,d,J=6Hz,21-CH3),2.02(6H,s,3α- AND 7β-OCOCH3),3.62(3H,s,-COOCH3), 4.6-5.0(2H,m,3β- AND 7α-H) (187)" "187/" "化学合成品 (187)" "187/" "BA0397" 5.00 "3α-HYDROXY-7-OXO-26,27-DINOR-5β-CHOLESTAN-25-OIC ACID" "C25H40O4" 25.00 40.00 4.00 0.00 0.00 0.00 404 " (REF:188)" " \/\/\" " カ COOH" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/ケ" " HO H O" "188/" "185-186゚C (188)" "188/" "PYRIDINE-d5 0.62(3H,s,18-CH3),0.97(3H,s,19-CH3),1.14(3H,d,J=6Hz,21-CH3), 3.81(1H,m,3β-H) (188)" "188/" "化学合成品 (187)" "187/" "BA0398" 5.00 "3α-HYDROXY-26,27-DINOR-5β-CHOLESTAN-25-OIC ACID" "C25H42O3" 25.00 42.00 3.00 0.00 0.00 0.00 390 " (REF:188)" " \/\/\" " カ COOH" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/" " HO H" "188/" "129-130゚C (188)" "188/" "PYRIDINE-d5 0.65(3H,s,18-CH3),0.96(3H,s,19-CH3),0.97(3H,d,J=6Hz,21-CH3), 3.98(1H,m,3β-H) (188)" "188/" "化学合成品 (188)" "188/" "BA0399" 5.00 "3α-HYDROXY-26,27-DINOR-5β-CHOLEST-6-EN-25-OIC ACID" "C25H40O3" 25.00 40.00 3.00 0.00 0.00 0.00 388 " (REF:007)" " \/\/\" " カ COOH" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノキ" " HO H" "007/" "138.5-139.5゚C (007)" "007/" "KBr DISC cm-1 3300, 1700 (007)" "PYRIDINE-d5 0.64(3H,s,18-CH3),0.92(3H,s,19-CH3),0.98(3H,d,J=6.6Hz,21-CH3), 5.50(1H,d,J=10.6Hz,6-H),5.65(1H,ddd,J1=10.1Hz,J2=4.6Hz,J3=2.6Hz,7-H) (007)" "007/" "化学合成品 (007)" "007/" "BA0400" 5.00 "7α-HYDROXY-3-OXO-26,27-DINOR-5-CHOLESTAN-25-OIC ACID" "C25H40O4" 25.00 40.00 4.00 0.00 0.00 0.00 404 " (REF:151)" " \/\/\" " カ COOH" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " エ\/ハ/ナ" " O H OH" "151/" "189-191゚C (AS METHYL ESTER) (151)" "151/" "AS NUJOL MULLS(METHYL ESTER) cm-1 3533,1745,1709,1278,1231,1197,1162,1077,1039,1020,1005,963,952,892 cm-1 (151)" "AS METHYL ESTER-TMS DERIVATIVE M/E 490,475,400,385,369,367,334,330,319, 271,244 (151)" "151/" "化学合成品 (151)" "151/" "BA0401" 5.00 "7α-HYDROXY-3-OXO-26,27-DINORCHOLEST-4-EN-25-OIC ACID" "C25H38O4" 25.00 38.00 4.00 0.00 0.00 0.00 402 " (REF:156)" " \/\/\" " カ COOH" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " エ\キ\/ナ" " O OH" "156/" "211-212゚C (156)" "156/" "λmax 243nm (156)" "cm-1 3508,3154,1724,1666,1310,1282,1265,1237,1186,1117,1066,1041,1006,945(156)" "0.71(s,18-H),0.93(d,21-H),1.18(s,18-H),3.95(m,7β-H),5.78(4-H) (156)" "M/E 402,384,374,369,366,346,269,261,249,227,124 (156)" "156/" "化学合成品 (156)" "156/" "BA0402" 5.00 "7α-HYDROXY-3-OXO-26,27-DINOR-5β-CHOLESTAN-25-OIC ACID" "C25H40O4" 25.00 40.00 4.00 0.00 0.00 0.00 404 " (REF:151/156)" " \/\/\" " カ COOH" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " エ\/ノ/ナ" " O H OH" "151/156/" "131-132゚C (156)" "156/" "cm-1 3597,1745,1718,1191,1162,1119,1071,985,975 (156)" "AS METHYL ESTER-TMS DERIVATIVE M/E 490,475,400,385,369,367,271,229 (156)" "156/" "化学合成品 (151/156)" "151/156/" "BA0403" 5.00 "3α,7α-DIHYDROXY-26,27-DINOR-5β-CHOLESTAN-25-OIC ACID" "C25H42O4" 25.00 42.00 4.00 0.00 0.00 0.00 406 " (REF:064)" " \/\/\" " カ COOH" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " ト\/ノ/ナ" " HO H OH" "064/" "210-212゚C (064)" "064/" "cm-1 2935,2865,1692,1365,1265,1068,965 (064)" "AS METHYL ESTER M/E 406,388,370,355,301,255,228,201 (064)" "064/" "化学合成品 (064)" "064/" "BA0404" 5.00 "3β,7α,12α-TRIHYDROXY-26,27-DINOR-5β-CHOLESTAN-25-OIC ACID" "C25H42O5" 25.00 42.00 5.00 0.00 0.00 0.00 422 " (REF:189)" " HO \/\/\" " テ カ COOH" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " /\/ノ/ナ" " HO H OH" "189/" "196-198゚C (189)" "+33゚ (189)" "189/" "DMSO 0.59(3H,s,18-CH3),0.83(3H,s,19-CH3),0.93(3H,d,J=6.3Hz,21-CH3), 3.61(1H,q,J=3.0Hz,7β-H),3.78(2H,m,3α-H,12β-H) (189)" "189/" "化学合成品 (189)" "189/" "BA0405" 5.00 "7α,12α-DIHYDROXY-3-OXO-26,27-DINOR-5β-CHOLESTAN-25-OIC ACID" "C25H40O5" 25.00 40.00 5.00 0.00 0.00 0.00 420 " (REF:189)" " HO \/\/\" " テ カ COOH" " /\ヌ\" " オカスコ" " /\ヌ\/" " オカ カ" " エ\/ノ/ナ" " O H OH" "189/" "105-107゚C (189)" "+43゚ (METHANOL) (189)" "189/" "DMSO 0.63(3H,s,18-CH3),0.92(3H,s,19-CH3),0.93(3H,d,J=6.3Hz,21-CH3), 3.68(1H,q,J=3.0Hz,7β-H),3.82(1H,t,J=2.8Hz,12β-H) (189)" "189/" "化学合成品 (189)" "189/" "BA0406" 5.00 "13-HYDROXY-9,10-DIMETHOXY-11-OCTADECENOIC ACID" "C20H38O5" 20.00 38.00 5.00 0.00 0.00 0.00 358 " OH CH3O OCH3 (REF:090)" " | | |" "CH3-(CH2)4-CH-CH=CH-CH-CH-(CH2)7-COOH" "090/" "METHYL ESTER(CS2)(090): TRANS OLEFIN(973-970cm-1), OH(3600 AND 3440cm-1)" "1H-NMR(METHYL ESTER;CDCl3,300MHz)(090): C9(3.15-3.19ppm), C10(3.58-3.62ppm)C11(5.55-5.58ppm), C12(5.71ppm), C13(4.15ppm), C9OCH3(3.27-3.29ppm),C10OCH3(3.40-3.41ppm), J11-12=15.7Hz(TRANS UNSATURATION)" "GC-EI-MS(METHYL,TMS)(090):m/e=201[CHOCH3(CH2)7COOCH3](基準ピーク), 243[M-201] 173[SMTO=CH(CH2)4CH3]" "ORD分析(090)" "090/" "13-ヒドロペルオキシリノール酸のメタノール中での酸分解物(090)" "090/" "BA0407" 5.00 "13-HYDROXY-9,12-DIMETHOXY-10-OCTADECENOIC ACID" "C20H38O5" 20.00 38.00 5.00 0.00 0.00 0.00 358 " OH OCH3 OCH3 (REF:090)" " | | |" "CH3-(CH2)4-CH-CH-CH=CH-CH-(CH2)7-COOH" "090/" "METHYL ESTER(CS2)(090): TRANS OLEFIN(975cm-1), OH(3570 AND 3460cm-1)" "1H-NMR(METHYL ESTER;CDCl3,300MHz)(090): C9(3.54-3.55ppm), C10(5.49-5.56ppm)C11(5.40-5.58ppm),C12(3.35-3.52ppm),C13(3.46-3.71ppm),C12OCH3(3.28-3.31ppm)C9OCH3(3.25-3.27ppm), J10-11=15.7Hz(TRANS UNSATURATION)" "GC-EI-MS(METHYL,TMS)(090):m/e=173[SMTO=CH(CH2)4CH3](基準ピーク), 240[M-173-OCH3]" "ORD分析(090)" "090/" "13-ヒドロペルオキシリノール酸のメタノール中での酸分解物(090)" "090/" "BA0408" 5.00 "12,13-DIHYDROXY-11-METHOXY-9-OCTADECENOIC ACID" "C19H36O5" 19.00 36.00 5.00 0.00 0.00 0.00 344 " OH OH OCH3 (REF:090)" " | | |" "CH3-(CH2)4-CH-CH-CH-CH=CH-(CH2)7-COOH" "090/" "METHYL ESTER(CS2)(090): CIS OLEFIN(750cm-1), OH(3550 AND 3490cm-1)" "1H-NMR(METHYL ESTER;CDCl3,300MHz)(090):C9(5.74ppm),C10(5.37ppm),C11(4.11ppm),C12(3.62ppm),C13(3.45ppm),C11OCH3(3.27ppm),C12OH(2.39ppm),C13OH(2.70ppm), J9-10=11.2Hz(CIS UNSATURATION)" "GC-EI-MS(METHYL,TMS)(090):m/e=227[CHOCH3CH=CH(CH2)7COOCH3], 300[227+TMS], 275[M-227], 185[275-HOTMS], 173[SMTO=CH(CH2)4CH3]" "090/" "13-ヒドロペルオキシリノール酸のメタノール中での酸分解物(090)" "090/" "BA0409" 5.00 "9-HYDROXY-10-OXO-12-OCTADECENOIC ACID" "C18H32O4" 18.00 32.00 4.00 0.00 0.00 0.00 312 " O OH (REF:086)" " ‖|" "CH3-(CH2)4-CH=CH-CH2-C-CH-(CH2)7-COOH" "086/" "λEtOH/max=226nm(ε=2900±400), λEtOH/max=277nm(ε=1300±200) (086)" "1H-NMR(086): C9(4.21ppm), C11(3.22ppm), C12,13(5.54ppm), C14(2.00ppm)" "086/" "リノール酸のトウモロコシ胚芽抽出液による酸化物(086).9-ヒドロペルオキシリノール酸からトウモロコシのヒドロペルオキシドイソメラー ゼの作用で生成(086).生成機構(012/086/094/095)" "086/012/094/095/" "BA0410" 5.00 "9-HYDROXY-12-OXO-10-OCTADECENOIC ACID" "C18H32O4" 18.00 32.00 4.00 0.00 0.00 0.00 312 " O OH (REF:086)" " ‖ |" "CH3-(CH2)5-C-CH=CH-CH-(CH2)7-COOH" "086/" "λEtOH/max=226nm(ε=9900±1100), λEtOH/max=275nm(ε=260±30) (086)" "TRANS UNSATURATION(973cm-1), CONJUGATED C=O(1617cm-1), OH(3460,1070cm-1) (086)" "1H-NMR(086): C9(4.29ppm), C11(6.28ppm), C10(6.80ppm), C13(2.56ppm)" "086/" "13-ヒドロペルオキシリノール酸からトウモロコシのヒドロペルオキシドイソメラーゼの作用で生成(086).生成機構(050/086/094/095)" "086/050/094/095/" "BA0411" 5.00 "9-HYDROXY-13-OXO-10-OCTADECENOIC ACID" "C18H32O4" 18.00 32.00 4.00 0.00 0.00 0.00 312 " O OH (REF:038/087)" " ‖ |" "CH3-(CH2)4-C-CH2-CH=CH-CH-(CH2)7-COOH" "038/087/" "METYL ESTER: ISOLATED TRANS OLEFIN(970cm-1), KETO CARBONYL(1717cm-1), OH(3460cm-1)(038/092)" "1H-NMR(METHYL ESTER, TRANS ENE)(038): C9(4.08ppm), C10(5.56ppm),C11(5.7ppm)C12(3.11ppm), C2,14(2.33ppm)" "GC-EI-MS(METHYL,TMS)(038/087/092): m/e=398[M], 383[M-CH3], 367[M-OCH3], 327[M-(CH2)4CH3], 259[SMTO=CH-(CH2)7COOCH3], 241[M-(CH2)7COOCH3], 99[CH3(CH2)4CO] GC-EI-MS(METHYL,水添,TMS)(087)""" "038/087/092/" "リノール酸ヒドロペルオキシドのFe(III)-CYSTEINE存在下での分解物[二重結合は トランス配置](038/087).13-ヒドロペルオキシリノール酸の酸分解物(089).レシチンの苦味成分(092) 生成機構(095)" "087/089/092/095/" "BA0412" 5.00 "13-HYDROXY-9-OXO-11-OCTADECENOIC ACID" "C18H32O4" 18.00 32.00 4.00 0.00 0.00 0.00 312 " OH O (REF:038/087)" " | ‖" "CH3-(CH2)4-CH-CH=CH-CH2-C-(CH2)7-COOH" "038/087/" "METYL ESTER(CS2):ISOLATED TRANS OLEFIN(970cm-1), KETO CARBONYL(1717cm-1), OH(3460cm-1) (038/092)" "1H-NMR(METHYL ESTER, TRANS ENE)(038):C2,8(2.33ppm),C10(3.11ppm),C11(5.7ppm)C12(5.56ppm), C13(4.08ppm)" "GC-EI-MS(METHYL,TMS)(038/087/092): m/e=398[M], 383[M-CH3], 367[M-OCH3], 327[M-(CH2)4CH3], 241[M-(CH2)7COOCH3], 199[CH2CO(CH2)7COOCH3], 185[CO(CH2)7COOCH3], 173[SMTO=CH-(CH2)4CH3]GC-EI-MS(METHYL,水添,TMS)(087)""" "038/087/092/" "リノール酸ヒドロペルオキシドのFe(III)-CYSTEINE存在下での分解物[二重結合は トランス配置](038/087). 13-ヒドロペルオキシリノール酸の酸分解物(089).レシチンの苦味成分(092) 生成機構(095)" "038/087/089/092/095/" "BA0413" 5.00 "13-HYDROXY-10-OXO-11-OCTADECENOIC ACID" "C18H32O4" 18.00 32.00 4.00 0.00 0.00 0.00 312 " OH O (REF:086)" " | ‖" "CH3-(CH2)4-CH-CH=CH-C-(CH2)8-COOH" "086/" "λEtOH/max=226nm(ε=9900±1100), λEtOH/max=275nm(ε260±30) (086)" "TRANS UNSATURATION(973cm-1), CONJUGATED C=O(1617cm-1), OH(3460,1070cm-1) (086)" "1H-NMR(086):C9(2.56ppm), C11(6.28ppm), C12(6.80ppm), C13(4.29ppm)" "GC-EI-MS(METHYL,水添)(086): m/e=328[M], 257[M-(CH2)4CH3], 225[257-CH3OH], 199[CO(CH2)8COOCH3], 167[199-CH3OH](基準ピーク), 157[(CH2)7COOCH3 OR CH3(CH2)4CH(OH)-(CH2)2CO]""" "086/" "リノール酸のトウモロコシ胚芽抽出液による酸化物(086).9-ヒドロペルオキシリノール酸からトウモロコシのヒドロペルオキシドイソメラー ゼの作用で生成(086).生成機構(050/086/094/095))" "086/050/094/095/" "BA0414" 5.00 "13-HYDROXY-12-OXO-9-OCTADECENOIC ACID" "C18H32O4" 18.00 32.00 4.00 0.00 0.00 0.00 312 " OH O (REF:086)" " | ‖" "CH3-(CH2)4-CH-C-CH2-CH=CH-(CH2)7-COOH" "086/" "λEtOH/max=226nm(ε=2900±400), λEtOH/max=277nm(ε=1300±200) (086)" "1H-NMR(086): C8(2.00ppm), C9,10(5.54ppm), C11(3.22ppm), C13(4.21ppm)" "086/" "13-ヒドロペルオキシリノール酸からトウモロコシのヒドロペルオキシドイソメラーゼの作用で生成(086).生成機構(012/050/086/094/095))" "086/012/050/094/095/" "BA0415" 5.00 "METHYL 9,12-DIHYDROXY-13-OXO-10-OCTADECENOATE" "C19H34O5" 19.00 34.00 5.00 0.00 0.00 0.00 342 " O OH OH (REF:075/076)" " ‖| |" "CH3-(CH2)4-C-CH-CH=CH-CH-(CH2)7-COOCH3" "075/076/" "GC-EI-MS(TMS)(075):m/e=486[M],471[M-CH3],455[M-OCH3],386[M-C(O)(CH2)4CH3-H] 259[SMTO=CH-(CH2)7COOCH3]" "075/" "13-ヒドロペルオキシリノール酸メチルのラジカル分解物(075/076)." "075/076/" "BA0416" 5.00 "METHYL 10,13-DIHYDROXY-9-OXO-11-OCTADECENOATE" "C19H34O5" 19.00 34.00 5.00 0.00 0.00 0.00 342 " OH OH O (REF:075/076)" " | | ‖" "CH3-(CH2)4-CH-CH=CH-CH-C-(CH2)7-COOCH3" "075/076/" "GC-EI-MS(TMS)(075):m/e=486[M],471[M-CH3],455[M-OCH3],300[M-C(O)(CH2)7CH3-H] 173[SMTO=CH-(CH2)4CH3]" "075/" "13-ヒドロペルオキシリノール酸メチルのラジカル分解物(075/076)." "075/076/" "BA0417" 5.00 "(METHYL) 9-OXO-10,12-OCTADECADIENOIC ACID (OCTADECADIENOATE)" "C18H30O3" 18.00 30.00 3.00 0.00 0.00 0.00 294 " O (REF:038/078/075)" " ‖" "CH3-(CH2)4-CH=CH-CH=CH-C-(CH2)7-COOH" "038/078/075/" "33-34 (091)" "091/" "λMeOH/max=277-278nm(ε=20300),λmax=267nm(CYCLOHEXANE)(038/078/075/091/092)" "TRANS,TRANS UNSATURATIONS(STRONG ABSORPTION AT 1000-990cm-1), TRANS,CISUNSATURATIONS(960-955cm-1), UNSATURATED KETONE(1695-1600cm-1) (038/078/075/092/089)" "1H-NMR(038/092): C8(2.54ppm), C10,12,13(6.06-6.21ppm), C11(7.02-7.51ppm), C14(2.20-2.23ppm)" "GC-EI-MS(METHYL,TMS)(075/092/037/089):m/e=308[M],277[M-OCH3],237[M-(CH2)4CH 3],185[C(O)(CH2)6COOCH3],166[CH3(CH2)4-CH=CH-CH=CH-C(OH)=CH2;MACLAFFERTY転 位] 151[M-(CH2)7COOCH3]GC-EI-MS(TMS)(038):m/e=366[M],341[M-CH3],295[[M-(CH2)4CH3],276[M-HOTMS],166,151" "038/078/075/091/092/089/037/084/" "リノール酸ヒドロペルオキシドのFe(III)-CYSTEINE存在下での分解物[TRANS,TRANSまたはTRANS,CIS](038).リノール酸メチルヒドロペルオキシドのDI-t-BUTYL DIPEROXYOXALATEまたはCo(II)存在下での分解物(077).リノール酸ヒドロペルオキシドの大豆リポキシゲナ−ゼ" "038/077/078/089/075/037/092/091/094/043/" "リノール酸モノヒドロペルオキシドより若干低い毒性を示す(064/066)" "064/066/" "BA0418" 5.00 "(METHYL) 13-OXO-9,11-OCTADECADIENOIC ACID (OCTADECADIENOATE)" "C18H30O3" 18.00 30.00 3.00 0.00 0.00 0.00 294 " O (REF:038/039/078/075)" " ‖" "CH3-(CH2)4-C-CH=CH-CH=CH-(CH2)7-COOH" "038/039/078/075/" "λMeOH/max=277-278nm(ε=20300)(038/078/075), λEtOH/max=278nm(039),λmax=267nm(CYCLOHEXANE)(092), DNP HYDRAZONE:λCHCl3/max=388,304,265nm(096)" "TRANS,TRANS UNSATURATIONS(STRONG ABSORPTION AT 1000-990cm-1), CIS,TRANS UNSATURATIONS(960-955cm-1),UNSATURATED KETONE(1695-1600cm-1)(038/078/075/092)" "1H-NMR(038/092):C8(2.20-2.23ppm), C9,10,12(6.06-6.21ppm), C11(7.02-7.51ppm) C14(2.54ppm)" "GC-EI-MS(METHYL,TMS)(039/092/037/089): m/e=308[M], 277[M-OCH3], 252[M-CH2=C H-CH2CH3], 237[M-(CH2)4CH3], 209[M-C(O)(CH2)4CH3], 151[M-(CH2)7COOCH3], GC-EI-MS(TMS)(038):m/e=366[M], 341[M-CH3], 295[M-(CH2)4CH3], 276[M-HOTMS],166[M-(CH2)6C(=O)OTMS];REARRAN" "038/078/075/039/092/096/037/089/084/" "リノール酸ヒドロペルオキシドのFe(III)-CYSTEINE存在下での分解物[TRANS,TRANSまたはCIS,TRANS](038).リノール酸メチルヒドロペルオキシドのDI-t-BUTYL DIPEROXYOXALATEまたはCo(II)存在下での分解物(077). リノール酸ヒドロペルオキシドの大豆リポキシゲナーゼ" "038/077/078/089/039/073/096/075/037/092/" "リノール酸モノヒドロペルオキシドより若干低い毒性を示す(064/066)" "064/066/" "BA0419" 5.00 "METHYL 9-BUTYLPEROXY-10,12-OCTADECADIENOATE" "C23H42O4" 23.00 42.00 4.00 0.00 0.00 0.00 382 " OOC(CH3)3 (REF:076)" " |" "CH3-(CH2)4-CH=CH-CH=CH-CH-(CH2)7-COOCH3" "076/" "λETHER/max=234nm(076)" "ESTER CARBONYL(1740cm-1), TRANS,TRANS DIENE(991cm-1)(076)" "1H-NMR(076): C10-C13(5.5-6.1ppm), C9(4.1ppm), C14(2.1ppm)" "GC-EI-MS(PALLADIUM-CHARCOAL触媒で水添)(076)" "076/" "13-ヒドロペルオキシリノール酸メチルのDI-TERT-BUTYL PEROXYOXALATE存在下での 分解物(076)" "076/" "BA0420" 5.00 "METHYL 13-BUTYLPEROXY-9,11-OCTADECADIENOATE" "C23H42O4" 23.00 42.00 4.00 0.00 0.00 0.00 382 " OOC(CH3)3 (REF:076)" " |" "CH3-(CH2)4-CH-CH=CH-CH=CH-(CH2)7-COOCH3" "076/" "λETHER/max=234nm(076)" "ESTER CARBONYL(1740cm-1), TRANS,TRANS DIENE(991cm-1)(076)" "1H-NMR(076): C9-C12(5.5-6.1ppm), C13(4.1ppm), C8(2.1ppm)" "GC-EI-MS(PALLADIUM-CHARCOAL触媒で水添)(076)" "076/" "13-ヒドロペルオキシリノール酸メチルのDI-TERT-BUTYL PEROXYOXALATE存在下での 分解物(076)" "076/" "BA0421" 5.00 "SODIUM 3α,12α-DIHYDROXY-7-OXO-24-NOR-5β-CHOLAN-23-SULFONATE" "C23H37O6Na" 23.00 37.00 6.00 0.00 0.00 1.00 464 " (REF: )" " H HO\/\" " メト モH オ" " /\ォ\ SO3-Na+" " カ カスコ" " /\ォ\/ナ" " オカ カ H" " ユハ/レ/ケ" " H OH H O" "258゚C(209)" "209/" "1H-NMR(CD3OD) 0.74(s,18-Me), 1.06(d,J=7Hz,21-Me), 1.22(s,19-Me), 2.56(t,J=11Hz,8-CH), 2.71/2.90(m,b,23-CH2), 2.98(dd,7/14Hz,6ax-CH), 3.54(m,b,3β-H), 4.00(m,12β-H)(209)" "(ESI) M/Z= 441.1(209)" "209/" "BA0422" 5.00 "3-OXO-4-CHOLEN-24-OIC ACID" "C24H36O3" 24.00 36.00 3.00 0.00 0.00 0.00 372 " (REF: )" " \/\" " モH オ" " /\ォ\ COOH" " カ カスコ" " /\ォ\/ナ" " オカ カ H" " エ\キ\/" " O" "131-132゚C(Me ESTER)(210)" "210/" "(Me ESTER) (NUJOL)1740, 1680, 1620cm-1(210)" "1H-NMR(CDCl3,Me ESTER) 0.70(s,18-Me), 1.18(s,19-Me), 3.63(s,COOMe), 5.69(s,4-CH)" "210/" "BA0423" 5.00 "6-(O-CARBOXYMETHYLOXYIMINO)-3α-HYDROXY-5β-CHOLAN-24-OIC ACID" "C26H41O6N" 26.00 41.00 6.00 1.00 0.00 0.00 463 " (REF: )" " \/\" " モH オ" " /\ォ\ COOH" " カ カスコ" " /\ォ\/ナ" " オカ カ H" " ユハ/レ/" " H OH H セ" " NOCH2COOH" "[α]15/D=-29.1゚(Me ESTER)(211)" "211/" "1H-NMR(CDCl3,Me ESTER) 0.65(s,18-Me), 0.83(s,19-Me), 0.92(d,J=5Hz,21-Me), 3.65(m,3β-H), 3.68(s,COOMe), 4.54(s,NOCH2COOH)(211)" "211/" "BA0424" 5.00 "(3α,7α,12α-TRIHYDROXY-5β-CHOLAN-24-OYL)-5'-AMINO-2'-NITRO-BENZOIC ACID" "C31H47O6N" 31.00 47.00 6.00 1.00 0.00 0.00 529 " (REF: )" " H HO\/\ COOH" " メト モH オ エ\/" " /\ォ\ CONH-オウ" " カ カスコ ク/\" " /\ォ\/ナ NO2" " オカ カ H" " ユハ/レ/ラ" " H OH H H OH" "161-164゚C(212)" "212/" "cm-1 3327(OH), 1703(COOH), 1697(CONH), 1550,1517(NO2)(212)" "1H-NMR(DMSO-d6) 0.60(s,18-Me), 0.81(s,19-Me), 0.99(d,J=5.6Hz,21-Me), 3.18(s,NH), 3.35(m,3β-H), 4.15(d,7β-H), 4.35(bs,12β-H), 7.95(m,AROMATIC), 10.56(s,COOH)(212)" "212/" "化学合成品(212)" "212/" "抱合胆汁酸加水分解酵素の分光学的測定の為の基質のとし合成された。(212)" "212/" "BA0425" 5.00 "7α,12α-DIHYDROXY-3β-(2-HYDROXYETHOXY)-5β-CHOLAN-24-OIC ACID" "C26H44O6" 26.00 44.00 6.00 0.00 0.00 0.00 452 " (REF: )" " H HO\/\" " メト モH オ" " /\ォ\ COOH" " カ カスコ" " /\ォ\/ナ" " オカ カ H" " ユハ/レ/ラ" "HOCH2CH2O H H H OH" "190-192゚C,159-164゚C(Me ESTER)(213)" "213/" "1H-NMR(DMSO-d6) 0.60(s,3H), 0.82(s,3H), 0.90-2.45(m,24H), 0.93(d,J=4.0Hz,3H), 3.31(m,2H), 3.48(m,3H), 3.62(m,1H), 3.78(m,1H), 4.00(d,J=2.7Hz,1H), 4.08(d,J=2.7Hz,1H), 4.45(t,1H), 11.90(s,1H)(213)" "213/" "BA0426" 5.00 "7α,12α-DIHYDROXY-3α-(2-HYDROXYETHOXY)-5β-CHOLAN-24-OIC ACID" "C26H44O6" 26.00 44.00 6.00 0.00 0.00 0.00 452 " (REF: )" " H HO\/\" " メト モH オ" " /\ォ\ COOH" " カ カスコ" " /\ォ\/ナ" " オカ カ H" " ユハ/レ/ラ" " H ツ H H OH" " HOCH2CH2O" "183-185゚C,104-106゚C(Me ESTER)(213)" "213/" "1H-NMR(DMSO-d6) 0.60(s,3H), 0.83(s,3H), 0.90-2.30(m,24H), 0.92(d,J=4.0Hz,3H), 3.05(m,1H), 3.3-3.5(m,4H), 3.62(m,1H), 3.79(m,1H), 4.01(d,J=2.7Hz,1H), 4.10(d,J=2.7Hz,1H), 4.50(m,1H), 11.91(s,1H)(213)" "213/" "BA0427" 5.00 "N-[(3α,5β,7β)-3,7-DIHYDROXY-24-OXOCHOLAN-24-YL]-L-PROLINE" "C29H47O5N" 29.00 47.00 5.00 1.00 0.00 0.00 489 " (REF: )" " \/\" " モH オ" " /\ォ\ C=O" " カ カスコ |" " /\ォ\/ナ N COOH" " オカ カ H / \ム" " ユハ/レ/ラ カススコナ" " H OH H HO H H" "133-137゚C(214)" "[α]20/=-23.7゚(CHCl3)(214)" "113μM(WATER)(214)" "214/" "(NUJOL) 3360, 1719, 1623cm-1(214)" "1H-NMR(CDCl3) 0.67(s,3H), 0.94(s,3H), 1.0(d,3H), 0.8-2.4(COMPLEX PATTERN,28H), 3.0(m,2H), 3.6(m,2H), 4.57(t,1H), 5.0(b,2H)(214)" "CMC:15mM, PKa:3.9 (214)" "214/" "New Bile Acids Amidated with Cyclic Amino Acids(214)" "214/" "BA0428" 5.00 "N-[(3α,5β,7β)-3,7-DIHYDROXY-24-OXOCHOLAN-24-YL]-D-PROLINE" "C29H47O5N" 29.00 47.00 5.00 1.00 0.00 0.00 489 " (REF: )" " \/\" " モH オ" " /\ォ\ C=O" " カ カスコ |" " /\ォ\/ナ N H" " オカ カ H / \ム" " ユハ/レ/ラ カススコナ" " H OH H HO H COOH" "140-144゚C(214)" "[α]20/=+76.5゚(MeOH)(214)" "59μM(WATER)(214)" "214/" "(NUJOL) 3360, 1719, 1625cm-1(214)" "1H-NMR(CDCl3) 0.67(s,3H), 0.94(s,3H), 1.0(d,3H), 0.8-2.4(COMPLEX PATTERN,28H), 3.0(m,2H), 3.6(m,4H), 4.35(t,1H), 4.4(b,2H)(214)" "CMC: 7mM, PKa:3.9 (214)" "214/" "New Bile Acids Amidated with Cyclic Amino Acids(214)" "214/" "BA0429" 5.00 "N-[(3α,5β,7β)-3,7-DIHYDROXY-24-OXOCHOLAN-24-YL]-4-TRANS-HYDROXY-L-PROLINE" "C29H47O6N" 29.00 47.00 6.00 1.00 0.00 0.00 505 " (REF: )" " \/\" " モH オ" " /\ォ\ C=O" " カ カスコ |" " /\ォ\/ナ N COOH" " オカ カ H / \ム" " ユハ/レ/ラ カススコナ" " H OH H HO H ラ H" " H OH" "98-100゚C(214)" "[α]20/=+16.2゚(MeOH)(214)" "250μM(WATER)(214)" "214/" "(NUJOL) 3360, 1719, 1625cm-1(214)" "1H-NMR(CDCl3) 0.67(s,3H), 0.94(s,3H), 1.0(d,3H), 0.8-2.4(COMPLEX PATTERN,28H), 3.0(m,2H), 3.6(m,4H), 4.57(dd,1H), 5.0(b,2H)(214)" "CMC:10mM, PKa:3.1 (214)" "214/" "New Bile Acids Amidated with Cyclic Amino Acids(214)" "214/" "BA0430" 5.00 "12β-HYDROXY-5α-CHOLAN-24-OIC ACID" "C24H40O3" 24.00 40.00 3.00 0.00 0.00 0.00 376 " HO イアイ" " メ オ オ (001)" " アイォイ COOH" " オカスコ" " アイォイア" " オカ カ" " イアハア" " H" "001/" "128〜129.5゚C(001)" "001/" "1700(C=0),3420,1000(OH) (001)" "METHYL ESTER DERIVATIVE 1H-NMR(CDCl3)(001), 13C-NMR(CDCl3)(002) 18-Me 0.71 (s),19-Me 0.79(s),21-Me 1.00(d),COOMe 3.63(s), C1 38.5,C2 22.0,C3 26.2,C4 28.8,C5 46.9,C6 28.8,C7 32.1,C8 34.1,C9 53.4,C10 36.0,C11 29.4,C12 79.4,C13 47.7,C14 54.4,C15 23.4,C16 2" "METHYL ESTER DERIVATIVE m/z 372,357,257(BASE PEAK),233,215 (001)" "001/" "ヒトふん便(003)" "003/" "BA0431" 5.00 "1β,3α-DIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " HO イアイ" " メ オ オ (004)" " アイォイ COOH" " オカスコ" " アイォイア" " オカ カ" " トイアハア" " HO H" "004/" "274〜278゚C(004)" "004/" "3300,3200,1680 (004)" "1H-NMR(PYRIDINE-d5)(004),18-Me 0.62(s),19-Me 1.28(s)" "METHYL ESTER-TRIMETHYLSILYL ESTER DERIVATIVE (Me-TMS) m/z 535,460,370,318, 255,217(BASE PEAK) (004)" "004/" "ヒト胆汁(005)" "005/" "BA0432" 5.00 "2β,3α-DIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " イアイ" " オ オ (006)" " アイォイ COOH" " HO オカスコ" " メアイォイア" " オカ カ" " トイアハア" " HO H" "006/" "193〜196゚C(006)" "006/" "1715(C=0),3364,1001(OH) (006)" "METHYL ESTER DERIVATIVE 1H-NMR(CDCl3) 18-Me 0.64(s),19-Me 0.96(s),21-Me 0.92(d),COOMe 3.66(s) 13C-NMR(CDCl3) C1 43.27,C2 71.53,C3 76.85,C4 34.18, C5 42.10,C6 26.50,C7 26.41,C8 35.90,C9 42.07,C10 37.23,C11 21.12,C12 40.13, C13 42.76,C14 56.44,C15 24.2" "METHYL ESTER-TRIMETHYLSILYL ESTER DERIVATIVE (Me-TMS) m/z 550,460,406,371 (BASE PEAK),330 (006)" "006/" "BA0433" 5.00 "3α,4β-DIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " イアイ" " オ オ (007)" " アイォイ COOH" " オカスコ" " アイォイア" " オカ カ" " トイアレア" " HO タH" " OH" "007/" "156〜158゚C(007)" "007/" "1703(C=0),3456,1019(OH) (007)" "METHYL ESTER DERIVATIVE 1H-NMR(CDCl3) 18-Me 0.62(s),19-Me 0.94(s),21-Me 0.88(d),COOMe 3.64(s) 13C-NMR(CDCl3) C1 34.6,C2 27.3,C3 76.7,C4 72.7, C5 48.7,C6 20.9,C7 26.0,C8 35.7,C9 42.4,C10 37.0,C11 20.9,C12 40.1,C13 42.7,C14 56.5,C15 24.1,C16 28.1,C17" "METHYL ESTER DERIVATIVE (Me-TMS) m/z 406(M+),388(BASE PEAK),370,264,249, 231,213 (007)" "007/" "ヒト(妊婦)羊水(008)" "008/" "BA0434" 5.00 "3β,4β-DIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " イアイ" " オ オ (007)" " アイォイ COOH" " オカスコ" " アイォイア" " オカ カ" " ユイアレア" " HO タH" " OH" "007/" "189〜191゚C(007)" "007/" "1708(C=0),3412,1028(OH) (007)" "METHYL ESTER DERIVATIVE 1H-NMR(CDCl3) 18-Me 0.63(s),19-Me 0.96(s),21-Me 0.88(d),COOMe 3.64(s) 13C-NMR(CDCl3) C1 29.2,C2 25.8,C3 68.4,C4 69.5, C5 44.0,C6 21.1,C7 26.0,C8 35.5,C9 41.6,C10 36.6,C11 20.7,C12 40.1,C13 42.6,C14 56.6,C15 24.1,C16 28.1,C17" "METHYL ESTER DERIVATIVE (Me-TMS) m/z 406(M+),388(BASE PEAK),370,264,249, 231,213 (007)" "007/" "BA0435" 5.00 "3d,7β-DIHYDROXY-5α-CHOLAN-24-OIC ACID" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " イアイ" " オ オ (009)" " アイォイ COOH" " オカスコ" " アイォイア" " オカ カ" " トイアハアヤ" " HO H OH" "009/" "243.5〜245゚C(009)" "009/" "1677(C=0),3300,1032,1003(OH) (009)" "METHYL ESTER DERIVATIVE 1H-NMR(CDCl3) 18-Me 0.68(s),19-Me 0.79(s),21-Me 0.93(d),COOMe 3.65(s)(009) 13C-NMR(CDCl3) C1 32.2,C2 29.0,C3 65.9,C4 35.7, C5 36.4,C6 38.4,C7 74.9,C8 43.6,C9 52.8,C10 35.4,C11 20.9,C12 40.0,C13 43.6,C14 55.2,C15 26.8,C16 28.3,C" "METHYL ESTER DERIVATIVE m/z 388,373,370(BASE PEAK),355,255,249,246 (009)" "009/" "BA0436" 5.00 "3β,7α-DIHYDROXY-5α-CHOLAN-24-OIC ACID" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " イアイ" " オ オ (009)" " アイォイ COOH" " オカスコ" " アイォイア" " オカ カ" " ユイアハアナ" " HO H OH" "009/" "271〜272゚C(009)" "009/" "1715(C=0),3550,1042,1024(OH) (009)" "METHYL ESTER DERIVATIVE 1H-NMR(CDCl3) 18-Me 0.66(s),19-Me 0.80(s),21-Me 0.92(d),COOMe 3.66(s)(009) 13C-NMR(CDCl3) C1 36.8,C2 31.1,C3 70.8,C4 37.5, C5 36.5,C6 36.3,C7 67.5,C8 39.3,C9 45.6,C10 35.3,C11 20.8,C12 39.3,C1342.4,C14 50.2,C15 23.4,C16 27.8,C1" "METHYL ESTER DERIVATIVE m/z 406(M+),388(BASE PEAK),373,273,264,249,246 (009)" "009/" "ヒト胆汁(034)" "034/" "BA0437" 5.00 "3β,7β-DIHYDROXY-5α-CHOLAN-24-OIC ACID" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " イアイ" " オ オ (009)" " アイォイ COOH" " オカスコ" " アイォイア" " オカ カ" " ユイアハアヤ" " HO H OH" "009/" "245〜246.5゚C(009)" "009/" "1690(C=0),3400,1034(OH) (009)" "METHYL ESTER DERIVATIVE 1H-NMR(CDCl3) 18-Me 0.69(s),19-Me 0.83(s),21-Me 0.93(d),COOMe 3.66(s)(009) 13C-NMR(CDCl3) C1 36.8,C2 31.3,C3 70.4,C4 37.7, C5 42.1,C6 38.5,C7 74.6,C8 43.3,C9 52.5,C10 34.8,C11 21.1,C12 39.9,C13 43.3,C14 55.0,C15 26.5,C16 28.1,C" "METHYL ESTER DERIVATIVE m/z 406(M+),388(BASE PEAK),373,273,264,255,249, 246 (009)" "009/" "ヒト胆汁(034)" "034/" "BA0438" 5.00 "3α,12β-DIHYDROXY-5α-CHOLAN-24-OIC ACID" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " HO イアイ" " メ オ オ (001)" " アイォイ COOH" " オカスコ" " アイォイア" " オカ カ" " トイアハア" " HO H" "001/" "206.5〜207.5゚C(001)" "001/" "1680(C=0),3400,1050,1028,1013,1000,970 (009)" "METHYL ESTER DERIVATIVE 1H-NMR(CDCl3) 18-Me 0.73(s),19-Me 0.79(s),21-Me 1.01(d),COOMe 3.65(s)(001) 13C-NMR(CDCl3) C1 32.1,C2 28.8,C3 66.2,C4 35.7, C5 38.9,C6 28.4,C7 32.1,C8 34.1,C9 53.0,C10 35.8,C11 29.4,C12 79.3,C13 47.7,C14 54.4,C15 23.4,C16 23.8,C" "METHYL ESTER DERIVATIVE m/z 388,357,273(BASE PEAK),255,249,213 (001)" "001/002/" "ヒトふん便(010)" "010/" "BA0439" 5.00 "3β,12α-DIHYDROXY-5α-CHOLAN-24-OIC ACID" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " HO イアイ" " ナ オ オ (001)" " アイォイ COOH" " オカスコ" " アイォイア" " オカ カ" " ユイアハア" " HO H" "001/" "228.5〜229.5゚C(001)" "001/" "1715(C=0),3530,1042,1017,982(OH) (001)" "METHYL ESTER DERIVATIVE 1H-NMR(CDCl3) 18-Me 0.71(s),19-Me 0.82(s),21-Me 0.98(d),COOMe 3.65(s)(001) 13C-NMR(CDCl3) C1 36.7,C2 21.5,C3 70.8,C4 37.9, C5 44.6,C6 28.4,C7 31.2,C8 35.5,C9 47.2,C10 34.9,C11 28.7,C12 72.8,C13 46.2,C14 47.9,C15 23.4,C16 27.1,C" "METHYL ESTER DERIVATIVE m/z 388,273(BASE PEAK),255,249,213 (001)" "001/002/" "ヒト尿(011,012,013,014),ヒトふん便(010)" "010/011/012/013/014/" "BA0440" 5.00 "3β,12β-DIHYDROXY-5α-CHOLAN-24-OIC ACID" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " HO イアイ" " メ オ オ (001)" " アイォイ COOH" " オカスコ" " アイォイア" " オカ カ" " ユイアハア" " HO H" "001/" "223.5〜225.5゚C(001)" "001/" "1715(C=0),3250,1040,1027,975(OH) (001)" "METHYL ESTER DERIVATIVE 1H-NMR(CDCl3) 18-Me 0.72(s),19-Me 0.81(s),21-Me 1.01(d),COOMe 3.64(s)(001) 13C-NMR(CDCl3) C1 36.8,C2 31.4,C3 70.7,C4 37.7, C5 44.6,C6 28.4,C7 32.0,C8 34.0,C9 52.9,C10 35.2,C11 29.3,C12 79.1,C13 47.6,C14 54.2,C15 23.4,C16 23.7,C" "METHYL ESTER DERIVATIVE m/z 388,273,357,273(BASE PEAK),255,249 (001)" "001/002/" "ヒトふん便(010)" "010/" "BA0441" 5.00 "7α,12α-DIHYDROXY-5α-CHOLAN-24-OIC ACID" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " HO イアイ" " ナ オ オ (015)" " アイォイ COOH" " オカスコ" " アイォイア" " オカ カ" " イ/ハアナ" " H OH" "015/" "225〜227゚C(015)" "015/" "1719(C=0),3400,1028(OH) (015)" "METHYL ESTER DERIVATIVE 1H-NMR(CDCl3) 18-Me 0.69(s),19-Me 0.78(s),21-Me 0.98(d),COOMe 3.66(s)(015) 13C-NMR(CDCl3) C1 38.2,C2 22.0,C3 26.6,C4 28.6, C5 39.1,C6 36.8,C7 67.9,C8 39.7,C9 39.7,C10 35.9,C11 28.3,C12 72.8,C13 46.5,C14 42.3,C15 23.0,C16 27.3,C" "METHYL ESTER DERIVATIVE m/z 388,370,355,273,255(BASE PEAK) (015)" "002/015/" "BA0442" 5.00 "7α,12β-DIHYDROXY-5α-CHOLAN-24-OIC ACID" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " HO イアイ" " メ オ オ (015)" " アイォイ COOH" " オカスコ" " アイォイア" " オカ カ" " イアハアナ" " H OH" "015/" "168〜170゚C(015)" "015/" "1708(C=0),3425,1032,1015(OH) (015)" "METHYL ESTER DERIVATIVE 1H-NMR(CDCl3) 18-Me 0.72(s),19-Me 0.79(s),21-Me 1.01(d),COOMe 3.66(s)(015) 13C-NMR(CDCl3) C1 38.3,C2 21.9,C3 26.5,C4 28.4, C5 39.1,C6 36.8,C7 67.6,C8 38.2,C9 45.2,C10 36.2,C11 29.5,C12 78.9,C13 47.6,C14 48.7,C15 23.0,C16 23.9,C" """METHYL ESTER DERIVATIVE m/z 388,370,355,273,255(BASE PEAK) (015)" "002/015/" "BA0443" 5.00 "7β,12α-DIHYDROXY-5α-CHOLAN-24-OIC ACID" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " HO イアイ" " ナ オ オ (015)" " アイォイ COOH" " オカスコ" " アイォイア" " オカ カ" " イアハアヤ" " H OH" "015/" "207.5〜208.5゚C(015)" "015/" "1685(C=0),3300,1028,990(OH) (015)" "METHYL ESTER DERIVATIVE 1H-NMR(CDCl3) 18-Me 0.71(s),19-Me 0.80(s),21-Me 0.99(d),COOMe 3.66(s)(015) 13C-NMR(CDCl3) C1 38.5,C2 22.0,C3 26.5,C4 28.5, C5 44.0,C6 38.7,C7 74.9,C8 43.6,C9 45.7,C10 35.2,C11 28.6,C12 72.4,C13 47.3,C14 46.0,C15 26.3,C16 27.7,C" "METHYL ESTER DERIVATIVE m/z 388,370,355,273,255(BASE PEAK) (015)" "002/015/" "BA0444" 5.00 "7β,12β-DIHYDROXY-5α-CHOLAN-24-OIC ACID" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " HO イアイ" " メ オ オ (015)" " アイォイ COOH" " オカスコ" " アイォイア" " オカ カ" " イアハアヤ" " H OH" "015/" "208〜210゚C(015)" "015/" "1677(C=0),3275,1036,1008,990(OH) (015)" "METHYL ESTER DERIVATIVE 1H-NMR(CDCl3) 18-Me 0.76(s),19-Me 0.81(s),21-Me 1.00(d),COOMe 3.66(s)(015) 13C-NMR(CDCl3) C1 38.6,C2 21.9,C3 26.4,C4 28.5, C5 44.2,C6 38.7,C7 74.8,C8 42.1,C9 51.6,C10 35.5,C11 29.1,C12 79.4, C1348.5,C14 53.9,C15 26.3,C16 23.7,C" "METHYL ESTER DERIVATIVE m/z 388,370,355,273(BASE PEAK),255 (015)" "002/015/" "BA0445" 5.00 "3β,7β-DIHYDROXY-CHOL-5-EN-24-OIC ACID" "C24H38O4" 24.00 38.00 4.00 0.00 0.00 0.00 390 " イアイ" " オ オ (016)" " アイォイ COOH" " オカスコ" " アイォイア" " オカ カ" " ユイアクアヤ" " HO OH" "016/" "237゚C(016)" "016/" "3470,3200(OH),2570,1725,1700(COOH) (016)" "1H-NMR(PYRIDINE-d5) 18-Me 0.70(s),19-Me 0.95(s) (016)" "016/" "BA0446" 5.00 "1β,3α,7α-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " HO イアイ" " メ オ オ (004)" " アイォイ COOH" " オカスコ" " アイォイア" " オカ カ" " トイアレアナ" " HO OH" "004/" "266〜270゚C(004)" "004/" "3380,3280,1705 (004)" "1H-NMR(PYRIDINE-d5) 18-Me 0.69(s),19-Me 1.30(s) (004)" "METHYL ESTER-TRIMETHYLSILYL ETHER DERIVATIVE (Me-TMS) m/z 623,548,458,368, 316,253,217(BASE PEAK) (004)" "004/" "ヒト尿(013/017/018/023),ヒト血液(017/018/023),ヒト胎便(019),ヒト羊水(017)" "013/017/018/019/023/" "BA0447" 5.00 "1β,3α,12α-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " HO イアイ" " ナ オ オ (004)" " HO アイォイ COOH" " メ オカスコ" " アイォイア" " オカ カ" " トイアレア" " HO H" "004/" "262〜264゚C(004)" "004/" "3400,3300,1705 (004)" "1H-NMR(PYRIDINE-d5) 18-Me 0.75(s),19-Me 1.34(s) (004)" "METHYL ESTER-TRIMETHYLSILYL ETHER DERIVATIVE (Me-TMS) m/z 623,548,458,368, 316,253,217(BASE PEAK) (004)" "004/" "ヒト尿(011/012/013/014/017/018/020/021/022/023),ヒト胎便(019), ヒト血液(017/018/022/023), ヒト羊水(008/017)" "008/011/012/013/014/017/018/019/020/021/022/023/" "BA0448" 5.00 "2β,3α,7α-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " イアイ" " オ オ (006)" " アイォイ COOH" " HO オカスコ" " メアイォイア" " オカ カ" " トイアレアナ" " HO H OH" "006/" "132〜134゚C(006)" "006/" "1700(C=O),3350,1008,975(OH) (006)" "METHYL ESTER DERIVATIVE 1H-NMR(CDCl3) 18-Me 0.62(s),19-Me 0.91(s),21-Me 0.88(d),COOMe 3.62(s) 13C-NMR C1 43.05,C2 71.27,C3 76.94,C4 37.33,C5 41.51,C6 33.97,C7 68.27,C8 39.41,C9 34.26,C10 37.53,C11 20.95,C12 39.68,C13 42.66,C14 50.36,C15 23.65,C16 28.2" "METHYL ESTER-TRIMETHYLSILYL ETHER DERIVATIVE (Me-TMS) m/z 548,458,369(BASE PEAK),243 (006)" "006/" "BA0449" 5.00 "2β,3α,12α-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " HO イアイ" " ツ オ オ (006)" " アイォイ COOH" " HO オカスコ" " メアイォイア" " オカ カ" " トイアレア" " HO H" "006/" "234〜235゚C(006)" "006/" "1723(C=O),3368,1004(OH) (006)" "METHYL ESTER DERIVATIVE 1H-NMR(CDCl3) 18-Me 0.64(s),19-Me 0.90(s),21-Me 0.93(d),COOMe 3.63(s) 13C-NMR C1 43.60,C2 70.75,C3 76.37,C4 34.50,C5 42.04,C6 26.49,C7 26.16,C8 36.07,C9 35.06,C10 36.06,C11 28.60,C12 73.21,C13 46.61,C14 47.98,C15 23.73,C16 27.5" "METHYL ESTER-TRIMETHYLSILYL ETHER DERIVATIVE (Me-TMS) m/z 623,548,458,369, 343,253(BASE PEAK) (006)" "006/" "BA0450" 5.00 "3α,4β,7α-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " イアイ" " オ オ (007)" " アイォイ COOH" " オカスコ" " アイォイア" " オカ カ" " トイアレアナ" " HO タH OH" " OH" "007/" "131〜133゚C(007)" "007/" "1707(C=O),3420,1016,975(OH) (007)" "METHYL ESTER DERIVATIVE 1H-NMR(CDCl3) 18-Me 0.64(s),19-Me 0.92(s),21-Me 0.90(d),COOMe 3.64(s) 13C-NMR C1 34.6,C2 28.1,C3 75.9,C4 75.5,C5 47.9,C6 27.5,C7 68.5,C8 39.2,C9 34.9,C10 37.1,C11 20.7,C12 39.6,C13 42.7,C14 50.5,C15 23.6,C16 28.1,C17 55.9,C18" "METHYL ESTER DERIVATIVE (Me-TMS) m/z 404,386(BASE PEAK),271,127 (007)" "007/" "ヒト胆汁(024/025),ヒト羊水(008)" "008/024/025/" "BA0451" 5.00 "3β,4β,7α-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " イアイ" " オ オ (007)" " アイォイ COOH" " オカスコ" " アイォイア" " オカ カ" " ユイアレアナ" " HO タH OH" " OH" "007/" "212〜214゚C(007)" "007/" "1712(C=O),3372(OH) (007)" "METHYL ESTER DERIVATIVE 1H-NMR(CDCl3) 18-Me 0.64(s),19-Me 0.94(s),21-Me 0.90(d),COOMe 3.64(s) 13C-NMR C1 29.2,C2 25.9,C3 69.5,C4 71.4,C5 42.9,C6 28.0,C7 68.6,C8 39.3,C9 34.0,C10 36.9,C11 20.9,C12 39.6,C13 42.7,C14 50.4,C15 23.6,C16 28.1,C17 55.8,C18" "METHYL ESTER DERIVATIVE (Me-TMS) m/z 404(BASE PEAK),386,127 (007)" "007/" "BA0452" 5.00 "3α,4β,12α-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " HO イアイ" " ナ オ オ (007)" " アイォイ COOH" " オカスコ" " アイォイア" " オカ カ" " トイアレア" " HO タH" " OH" "007/" "151〜152゚C(007)" "007/" "1706(C=O),3402,1036(OH) (007)" "METHYL ESTER DERIVATIVE 1H-NMR(CDCl3) 18-Me 0.66(s),19-Me 0.93(s),21-Me 0.94(d),COOMe 3.64(s) 13C-NMR C1 34.6,C2 27.4,C3 76.7,C4 72.5,C5 48.5,C6 20.8,C7 25.8,C8 35.9,C9 35.4,C10 36.4,C11 28.7,C12 73.0,C13 46.5,C14 48.3,C15 23.6,C16 27.4,C17 47.3,C18" "METHYL ESTER DERIVATIVE (Me-TMS) m/z 289(BASE PEAK),271 (007)" "007/" "BA0453" 5.00 "3β,4β,12α-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " HO イアイ" " ナ オ オ (007)" " アイォイ COOH" " オカスコ" " アイォイア" " オカ カ" " ユイアレア" " HO タH" " OH" "007/" "202〜203゚C(007)" "007/" "1705(C=O),3412,1029(OH) (007)" "METHYL ESTER DERIVATIVE 1H-NMR(CDCl3) 18-Me 0.67(s),19-Me 0.95(s),21-Me 0.94(d),COOMe 3.64(s) 13C-NMR C1 29.1,C2 25.7,C3 68.3,C4 69.5,C5 43.9,C6 20.6,C7 25.7,C8 35.7,C9 34.9,C10 36.1,C11 28.9,C12 73.1,C13 46.4,C14 48.3,C15 23.5,C16 27.4,C17 47.2,C18" "METHYL ESTER DERIVATIVE (Me-TMS) m/z 289(BASE PEAK),271 (007)" "007/" "BA0454" 5.00 "3β,6α,12α-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " イアイ" " オ オ (026)" " アイォイ COOH" " オカスコ" " アイォイア" " オカ カ" " ユイアレアナ" " HO H ツ OH" " OH" "026/" "214〜217゚C(026)" "026/" "1708(C=O),3440,1048(OH) (026)" "METHYL ESTER DERIVATIVE 1H-NMR(CDCl3) 18-Me 0.69(s),19-Me 0.94(s),21-Me 0.93(d),COOMe 3.66(s) 13C-NMR C1 30.0,C2 27.4,C3 66.0,C4 29.3,C5 42.4,C6 71.8,C7 69.5,C8 38.4,C9 32.0,C10 36.4,C11 20.9,C12 39.4,C13 42.7,C14 50.2,C15 23.4,C16 28.0,C17 55.7,C18" "METHYL ESTER DERIVATIVE (Me-TMS) m/z 422(M+),404,386,371 (026)" "026/" "BA0455" 5.00 "3β,6β,7α-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " イアイ" " オ オ (026)" " アイォイ COOH" " オカスコ" " アイォイア" " オカ カ" " ユイアレアナ" " HO H タ OH" " OH" "026/" "214〜216゚C(026)" "026/" "1720(C=O),3420,1038,1020(OH) (026)" "METHYL ESTER DERIVATIVE 1H-NMR(CDCl3) 18-Me 0.70(s),19-Me 1.12(s),21-Me 0.93(d),COOMe 3.67(s) 13C-NMR C1 30.6,C2 27.7,C3 66.3,C4 33.2,C5 42.8,C6 76.6,C7 73.0,C8 35.2,C9 33.0,C10 35.2,C11 20.8,C12 39.5,C13 42.6,C14 49.8,C15 23.7,C16 28.1,C17 55.8,C18" "METHYL ESTER DERIVATIVE (Me-TMS) m/z 422(M+),404,386,371 (026)" "026/" "BA0456" 5.00 "3β,6α,7β-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " イアイ" " オ オ (026)" " アイォイ COOH" " オカスコ" " アイォイア" " オカ カ" " ユイアレアヤ" " HO H ツ OH" " OH" "026/" "129〜131゚C(026)" "026/" "1710(C=O),3410,1025(OH) (026)" "METHYL ESTER DERIVATIVE 1H-NMR(CDCl3) 18-Me 0.68(s),19-Me 0.99(s),21-Me 0.92(d),COOMe 3.67(s) 13C-NMR C1 29.9,C2 27.3,C3 65.6,C4 27.8,C5 42.3,C6 73.0,C7 75.6,C8 41.6,C9 38.9,C10 35.8,C11 21.5,C12 40.1,C13 43.8,C14 55.1,C15 26.7,C16 28.5,C17 56.0,C18" "METHYL ESTER DERIVATIVE (Me-TMS) m/z 422(M+),404,386,371,368 (026)" "026/" "BA0457" 5.00 "3β,6β,7β-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " イアイ" " オ オ (026)" " アイォイ COOH" " オカスコ" " アイォイア" " オカ カ" " ユイアレアヤ" " HO H ミ OH" " OH" "026/" "189〜190゚C(026)" "026/" "1713(C=O),3425,1038(OH) (026)" "METHYL ESTER DERIVATIVE 1H-NMR(CDCl3) 18-Me 0.70(s),19-Me 1.13(s),21-Me 0.93(d),COOMe 3.67(s) 13C-NMR C1 30.1,C2 27.4,C3 65.7,C4 32.5,C5 42.4,C6 75.0,C7 73.4,C8 38.5,C9 39.2,C10 34.2,C11 21.0,C12 39.9,C13 43.5,C14 54.9,C15 26.9,C16 28.4,C17 55.6,C18" "METHYL ESTER DERIVATIVE (Me-TMS) m/z 422(M+),404,386,371 (026)" "026/" "BA0458" 5.00 "3α,6α,12α-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " (REF:027)" " HO \/\" " ツ | |" " /\ヌ\ COOH" " | カスコ" " /\ヌ\/" " | | |" " ト\/レ/" " HO H ツ" " OH" "027/" "135〜137゚C(027)" "027/" "1709(C=O), 3401,1037(OH) (027)" "METHYL ESTER DERIVATIVE(027):1H-NMR(CDCl3):18-Me 0.666(s),19-Me 0.890(s), 21-Me 0.967(d),COOMe 3.663(s);13C-NMR(CDCl3):C1 35.66,C2 30.08,C3 71.53, C4 29.18,C5 48.53,C6 68.08,C7 34.81,C8 35.10,C9 32.97,C10 35.60,C11 28.62C12 72.95,C13 46.69,C14 47.87,C" "METYL ESTER DERIVATIVE (027) m/e=404, 368, 289, 217(BASE PEAK), 253" "027/" "ヒトふん便 (003), ヒト尿(012/014/021/028)" "003/012/014/021/028/" "BA0459" 5.00 "3α,6β,12α-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " (REF:027)" " HO \/\" " ツ | |" " /\ヌ\ COOH" " | カスコ" " /\ヌ\/" " | | |" " ト\/レ/" " HO H ミ" " OH" "027/" "137〜139C(027)" "027/" "1711=O), 3401,1045(OH) (027)" "METHYL ESTER DERIVATIVE(027):1H-NMR(CDCl3):18-Me 0.712(s),19-Me 1.099(s), 21-Me 0.976(d),COOMe 3.665(s);13C-NMR(CDCl3):C1 35.76,C2 30.12,C3 71.30, C4 36.44,C5 48.68,C6 73.13,C7 34.45,C8 30.96,C9 34.06,C10 33.97,C11 28.51 C12 73.13,C13 46.63,C14 48.00," "METYL ESTER DERIVATIVE (027) m/e=404, 368, 289, 217(BASE PEAK), 253" "027/" "ヒト尿(011/012/013/014)" "011/012/013/014/" "BA0460" 5.00 "3β,6α,12α-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " (REF:027)" " HO \/\" " ツ | |" " /\ヌ\ COOH" " | カスコ" " /\ヌ\/" " | | |" " ユ\/レ/" " HO H ツ" " OH" "027/" "135〜137C(027)" "027/" "1709=O), 3412,1036, 976(OH) (027)" "METHYL ESTER DERIVATIVE(027):1H-NMR(CDCl3):18-Me 0.680(s),19-Me 0.929(s), 21-Me 0.973(d),COOMe 3.664(s);13C-NMR(CDCl3):C1 30.08,C2 27.43,C3 66.09, C4 26.25,C5 43.05,C6 67.85,C7 34.37,C8 34.93,C9 32.33,C10 36.05,C11 28.93 C12 73.04,C13 46.75,C14 48.12," "METYL ESTER DERIVATIVE (027) m/e=404, 368, 289, 217(BASE PEAK), 253" "027/" "BA0461" 5.00 "3β,6β,12α-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " (REF:027)" " HO \/\" " ツ | |" " /\ヌ\ COOH" " | カスコ" " /\ヌ\/" " | | |" " ユ\/レ/" " HO H タ" " OH" "027/" "1315〜1337C(027)" "027/" "1709=O), 3408,1023(OH) (027)" "METHYL ESTER DERIVATIVE(027):1H-NMR(CDCl3):18-Me 0.686(s),19-Me 1.101(s), 21-Me 0.983(d),COOMe 3.640(s);13C-NMR(CDCl3):C1 29.43,C2 26.50,C3 64.44, C4 32.24,C5 42.23,C6 71.38,C7 33.42,C8 29.91,C9 32.86,C10 33.48,C11 28.04C12 71.58,C13 45.57,C14 47.05,C" "METYL ESTER DERIVATIVE (027) m/e=404, 368, 289, 217(BASE PEAK), 253" "027/" "BA0462" 5.00 "3α,7β,12α-TRIHYDROXY-5α-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " HO イアイ" " テ オ オ (029)" " アイォイ COOH" " オカスコ" " アイォイア" " オカ カ" " トイアハアヤ" " HO H OH" "029/" "269〜271゚C(029)" "029/" "1675(C=O),3500,1025,1000(OH) (029)" "METHYL ESTER DERIVATIVE 1H-NMR(CDCl3) 18-Me 0.71(s),19-Me 0.79(s),21-Me 0.98(d),COOMe 3.66(s)(029);13C-NMR C1 31.9,C2 28.8,C3 65.7,C4 35.4,C5 36.1,C6 38.2,C7 74.6,C8 43.4,C9 45.1,C10 34.8,C11 28.4,C12 72.1,C13 47.1,C14 47.4,C15 26.2,C16 27.6,C17 45." "002/029/" "BA0463" 5.00 "3α,7α,12β-TRIHYDROXY-5α-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " HO イアイ" " メ オ オ (029)" " アイォイ COOH" " オカスコ" " アイォイア" " オカ カ" " トイアハアナ" " HO H OH" "029/" "210.5〜212゚C(029)" "029/" "1700(C=O),3450,1010,995(OH) (029)" "METHYL ESTER DERIVATIVE 1H-NMR(CDCl3) 18-Me 0.72(s),19-Me 0.79(s),21-Me 1.01(d),COOMe 3.66(s)(029);13C-NMR C1 32.2,C2 28.8,C3 66.2,C4 35.4,C5 31.4,C6 36.4,C7 67.5,C8 38.3,C9 44.8,C10 36.0,C11 29.5,C12 78.9,C13 47.6,C14 48.7,C15 23.0,C16 23.8,C17 57.2," "002/029/" "BA0464" 5.00 "3α,7β,12β-TRIHYDROXY-5α-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " HO イアイ" " メ オ オ (029)" " アイォイ COOH" " オカスコ" " アイォイア" " オカ カ" " トイアハアヤ" " HO H OH" "029/" "243〜244゚C(029)" "029/" "1710(C=O),3280,1028,1005(OH) (029)" "METHYL ESTER DERIVATIVE 1H-NMR(CDCl3) 18-Me 0.74(s),19-Me 0.79(s),21-Me 0.99(d),COOMe 3.65(s)(029);13C-NMR C1 31.5,C2 28.1,C3 64.4,C4 34.8,C5 35.5,C6 38.0,C7 73.4,C8 41.2,C9 50.5,C10 34.5,C11 28.6,C12 78.4,C13 47.6,C14 53.3,C15 25.6,C16 23.0,C17 55.8," "002/029/" "BA0465" 5.00 "3β,7α,12α-TRIHYDROXY-5α-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " HO イアイ" " テ オ オ (029)" " アイォイ COOH" " オカスコ" " アイォイア" " オカ カ" " ユイアハアナ" " HO H OH" "029/" "236〜238゚C(029)" "029/" "1705(C=O),3420,1035(OH) (029)" "METHYL ESTER DERIVATIVE 1H-NMR(CDCl3) 18-Me 0.69(s),19-Me 0.80(s),21-Me 0.98(d),COOMe 3.66(s)(029) 13C-NMR C1 36.6,C2 31.3,C3 71.0,C4 37.7,C5 37.1,C6 36.5,C7 67.7,C8 39.8,C9 39.3,C10 35.1,C11 28.6,C12 72.8,C13 46.5,C14 42.0,C15 23.0,C16 27.3,C17 47.2," "002/029/" "BA0466" 5.00 "3β,7β,12α-TRIHYDROXY-5α-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " HO イアイ" " テ オ オ (029)" " アイォイ COOH" " オカスコ" " アイォイア" " オカ カ" " ユイアハアヤ" " HO H OH" "029/" "252〜254゚C(029)" "029/" "1680(C=O),3440,1027(OH) (029)" "METHYL ESTER DERIVATIVE 1H-NMR(CDCl3) 18-Me 0.71(s),19-Me 0.83(s),21-Me 0.98(d),COOMe 3.66(s)(029);13C-NMR C1 36.7,C2 31.3,C3 70.9,C4 37.7,C5 42.1,C6 38.3,C7 74.8,C8 43.5,C9 45.1,C10 34.5,C11 29.0,C12 72.4,C13 47.4,C1447.4,C15 26.2,C16 27.4,C17 46.0,C" "002/029/" "ヒト尿(011), ヒト胆汁(034)" "011/034/" "BA0467" 5.00 "3β,7α,12β-TRIHYDROXY-5α-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " HO イアイ" " メ オ オ (029)" " アイォイ COOH" " オカスコ" " アイォイア" " オカ カ" " ユイアハアナ" " HO H OH" "029/" "242〜243゚C(029)" "029/" "1675(C=O),3200,1010(OH) (029)" "METHYL ESTER DERIVATIVE 1H-NMR(CDCl3) 18-Me 0.73(s),19-Me 0.82(s),21-Me 1.01(d),COOMe 3.66(s)(029) 13C-NMR C1 36.6,C2 31.0,C3 70.3,C4 37.3,C5 36.9,C6 36.4,C7 66.8,C8 38.0,C9 44.4,C10 35.2,C11 29.3,C12 78.4,C13 47.3,C1434.5, C11 29.0,C12 72.4,C13 47.4," "002/029/" "BA0468" 5.00 "3β,7β,12β-TRIHYDROXY-5α-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " HO イアイ" " メ オ オ (029)" " アイォイ COOH" " オカスコ" " アイォイア" " オカ カ" " ユイアハアヤ" " HO H OH" "029/" "227〜228゚C(029)" "029/" "1673(C=O),3450,1035,1003(OH) (029)" "METHYL ESTER DERIVATIVE 1H-NMR(CDCl3) 18-Me 0.76(s),19-Me 0.84(s),21-Me 0.99(d),COOMe 3.66(s)(029);13C-NMR C1 36.4,C2 30.9,C3 70.5,C4 37.1,C5 41.4,C6 37.8,C7 74.3,C8 41.6,C9 50.7,C10 34.4,C11 28.7,C12 78.9,C13 48.1,C1453.3,C15 25.8,C16 23.2,C17 56.1,C" "002/029/" "BA0469" 5.00 "2β,3α,7α,12α-TETRAHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O6" 24.00 40.00 6.00 0.00 0.00 0.00 424 " HO イアイ" " テ オ オ (006)" " アイォイ COOH" " HO オカスコ" " メアイォイア" " オカ カ" " トイアレアナ" " HO H OH" "006/" "230〜232゚C(006)" "006/" "1702(C=O),3436,978(OH) (006)" "METHYL ESTER DERIVATIVE 1H-NMR(CDCl3) 18-Me 0.63(s),19-Me 0.88(s),21-Me 0.93(d),COOMe 3.63(s) 13C-NMR C1 43.14,C2 70.55,C3 76.54,C4 37.26,C5 41.39,C6 33.87,C7 68.33,C8 39.46,C9 27.67,C10 37.16,C11 28.43,C12 72.99,C13 46.44,C14 41.64,C15 23.22,C16 27.6" "METHYL ESTER-TRIMETHYLSILYL ETHER DERIVATIVE(Me-TMS) m/z 636,546,456,367 (BASE PEAK),341,243 (006)" "006/" "ヒト羊水(008),ヒト胃液(030)" "008/030/" "BA0470" 5.00 "3α,4β,7α,12α-TETRAHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O6" 24.00 40.00 6.00 0.00 0.00 0.00 424 " HO イアイ" " テ オ オ (007)" " アイォイ COOH" " オカスコ" " アイォイア" " オカ カ" " トイアレアナ" " HO タH OH" " HO" "007/" "150〜152゚C(007)" "007/" "1703(C=O),3396,1028(OH) (007)" "METHYL ESTER DERIVATIVE 1H-NMR(CDCl3) 18-Me 0.65(s),19-Me 0.90(s),21-Me 0.95(d),COOMe 3.64(s) 13C-NMR C1 34.6,C2 28.1,C3 76.0,C4 75.3,C5 47.9,C6 27.5,C7 68.5,C8 39.2,C9 28.1,C10 36.8,C11 28.1,C12 73.0,C13 46.4,C14 41.6,C15 23.1,C16 27.5,C17 47.0,C18" "METHYL ESTER DERIVATIVE m/z 402,384,287,269(BASE PEAK),242,127 (007)" "007/" "ヒト胆汁(024,025),ヒト羊水(008)" "008/024/025/" "BA0471" 5.00 "3β,4β,7α,12α-TETRAHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O6" 24.00 40.00 6.00 0.00 0.00 0.00 424 " HO イアイ" " テ オ オ (007)" " アイォイ COOH" " オカスコ" " アイォイア" " オカ カ" " ユイアレアナ" " HO タH OH" " HO" "007/" "148〜149゚C(007)" "007/" "1708(C=O),3385,1023(OH) (007)" "METHYL ESTER DERIVATIVE 1H-NMR(CDCl3) 18-Me 0.68(s),19-Me 0.93(s),21-Me 0.95(d),COOMe 3.64(s) 13C-NMR C1 29.2,C2 25.6,C3 69.7,C4 71.1,C5 42.7,C6 28.6,C7 68C15 23.2,C16 27.4,C17 47.2,C18 12.5,C19 22.6,C20 35.2,C21 17.3,C22 31.1, C23 30.9,C24 174.7," "METHYL ESTER DERIVATIVE m/z 420,402,384,287(BASE PEAK),269,260,127 (007)" "007/" "BA0472" 5.00 "3α,6β,7α,12α-TETRAHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O6" 24.00 40.00 6.00 0.00 0.00 0.00 424 " HO イアイ" " テ オ オ (031)" " アイォイ COOH" " オカスコ" " アイォイア" " オカ カ" " トイアレアナ" " HO タH OH" " HO" "031/" "154〜157゚C(031)" "031/" "1703(C=O),3538,1014,986,952(OH)(031)" "METHYL ESTER DERIVATIVE 1H-NMR(CDCl3) 18-Me 0.72(s),19-Me 1.06(s),21-Me 0.98(d),COOMe 3.67(s) 13C-NMR C1 35.7,C2 29.9,C3 71.4,C4 35.9,C5 47.4,C6 76.0,C7 73.2,C8 35.3,C9 26.6,C10 34.5,C11 27.7,C12 73.2,C13 46.4,C14 41.1,C15 23.3,C16 27.5,C17 47.0,C18" "METHYL ESTER DERIVATIVE m/z 402,384,366,305,287,269,260,251 (031)" "031/" "ヒト尿(021/032/033),ヒト羊水(033)" "021/032/033/" "BA0473" 5.00 "3α,6α,7β,12α-TETRAHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O6" 24.00 40.00 6.00 0.00 0.00 0.00 424 " HO イアイ" " テ オ オ (031)" " アイォイ COOH" " オカスコ" " アイォイア" " オカ カ" " トイアレアヤ" " HO H ツ OH" " OH" "031/" "148〜151゚C(031)" "031/" "1708(C=O),3421,1040,952(OH)(031)" "METHYL ESTER DERIVATIVE 1H-NMR(CDCl3) 18-Me 0.70(s),19-Me 0.95(s),21-Me 0.98(d),COOMe 3.67(s) 13C-NMR C1 35.1,C2 30.9,C3 71.1,C4 29.2,C5 47.7,C6 73.1,C7 75.2,C8 41.8,C9 32.1,C10 34.8,C11 27.8,C12 72.4,C13 47.4,C14 47.4,C15 26.2,C16 27.8,C17 45.9,C18" "METHYL ESTER DERIVATIVE m/z 402,384,366,305,287,269,251 (031)" "031/" "BA0474" 5.00 "3α,6β,7β,12α-TETRAHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O6" 24.00 40.00 6.00 0.00 0.00 0.00 424 " HO イアイ" " テ オ オ (031)" " アイォイ COOH" " オカスコ" " アイォイア" " オカ カ" " トイアレアヤ" " HO H ミ OH" " OH" "031/" "234〜236゚C(031)" "031/" "1716(C=O),3366,1001(OH)(031)" "METHYL ESTER DERIVATIVE 1H-NMR(CDCl3) 18-Me 0.73(s),19-Me 1.09(s),21-Me 0.99(d),COOMe 3.67(s) 13C-NMR C1 34.6,C2 28.8,C3 69.4,C4 34.6,C5 46.6,C6 74.6,C7 72.0,C8 37.6,C9 31.3,C10 32.4,C11 27.7,C12 70.8,C13 46.0,C14 46.1,C15 25.6,C16 26.8,C17 44.5,C18" "METHYL ESTER DERIVATIVE m/z 420,402,384,305,287,269,251 (031)" "031/" "ヒト尿(033),ヒト羊水(033)" "033/" "BA0475" 5.00 "1α,3α,7α-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " (REF:035)" " \/\" " オカ" " HO /\ォ\ COOH" " ツ オカスコ" " /\ォ\/" " オ オ オ" " ト\/レ/ナ" " HO H OH" "035/" "1H-NMR(CDCl3)δMETHYL ESTER DERIVATIVE:0.76(3H,s,18-CH3),0.90(3H,bd,21-CH3), 1.11(3H,s,19-CH3), 2.5〜3.5(brs), 3.30(bd), 3.68(S,Ome), 3.85(bs) (035)""" "MS,M/Z(%,INT.):408[M+](6),390[M-18](99),372[M-2x18](100),368[M-2x18-4](40), 357[M-2x18-15](14),300(10),289[M-18-SIDE CHAIN 118](11),280[M-118-C16,17] (10),271[M-2x18-118](9),262[M-18-118-C-16,17](21),244[M-2x18-118-C-16,17](10) (035)" "035/" "ふくろうねずみ(有袋類の) (035)" "035/" "BA0476" 5.00 "3α,12α,15α-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " (REF:036)" " HO \/\" " ツ オカ" " /\ォ\ COOH" " オカスコ" " /\ォ\/ ナ" " オ オ オ OH" " ト\/レ/" " HO H" "036/" "322-325゚C(decomp.)(036),265-267゚C(METHYL ESTER(037" "[α]25/D +80.6゚ (METHYL ESTER DERIVATIVE)(037)" "036/037/" "3400,1710(COOH) (036)" "1H-NMR(PYRIDINE)δ: 0.81(3H,s,18-CH3), 0.98(3H,s,19-CH3) (036) METHYL ESTER DERIVATIVE;1H-NMR(PYRIDINE-d5)δ:0.82(3H,s,18-CH3),0.97(3H,s, 19-CH3), 3.61(3H,s,COOCH3), 3.85(1H,m,3β-H), 4.00-4.30(2H,m,12β- AND 15β-H) (037)""" "METHYL ESTER DERIVATIVE : MS,M/Z; 404[M-18], 386[M-2x18], 368[M-3x18],271[M-2x18-SIDE CHAIN S.C.](BASE PEAK), 253[M-3x18-S.C.] (037)" "036/037/" "BA0477" 5.00 "(22R)-3α,7α,22-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " OH (REF:038)" " ツ" " \/\" " オ オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/" " オ オ オ" " ト\/レ/ナ" " HO H OH" "038/" "141-142゚C (038)" "[α]/D:+1.0゚ (038)" "038/" "3400(OH), 1720(COOH)(038)" "1H-NMR(PYRIDINE-d5)δ: 0.69(3H,s,18-CH3),0.97(3H,s,19-CH3),1.17(3H,d,J=6Hz,21-CH3),3.4〜4.4(3H,m,3β-,7β-,22-CH-OH); 13C-NMR(CD3OD)δ: C-1 36.5,C-2 31.4,C-3 72.9,C-4 40.6,C-5 43.1,C-6 35.9,C-7 69.1,C-8 40.8,C-9 34.0,C-10 36.1,C-11 21.7,C-12 40.8,C-" "METHYL ESTER DERIVATIVE,Hi-MS,M/Z:M+, 422.3002(CALCD.FOR C25H42O5=422.3030); M-H2O, 404.2945(CALCD.FOR C25H40O4=404.2925); M-2H2O, 386.2729(CALCD.FOR C25H38O3=386.2818) (038)" "038/" "BA0478" 5.00 "(22S)-3α,7α,22-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "HAEMUCHOLIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " OH (REF:038)" " チ" " \/\" " オ オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/" " オ オ オ" " ト\/レ/ナ" " HO H OH" "038/" "247-250゚C (038)" "[α]/D : +2.4゚ (038)" "038/" "3400(OH), 1720(COOH) (038)" "1H-NMR(PYRIDINE-d5)δ: 0.74(3H,s,18-CH3),0.96(3H,s,19-CH3),1.16(3H,d,J=6Hz,21-CH3),3.4〜4.4(3H,m,3β-,7β-,22-CH-OH); 13C-NMR(CD3OD)δ: C-1 36.6,C-2 31.5,C-3 73.0,C-4 40.6,C-5 43.2,C-6 36.0,C-7 69.2,C-8 40.9,C-9 34.1,C-10 36.2,C-11 21.8,C-12 41.2,C-" "METHYL ESTER DERIVATIVE,Hi-MS,M/Z:M+, 422.3070(CALCD.FOR C25H42O5=422.3030); M-H2O, 404.2944(CALCD.FOR C25H40O4=404.2925); M-2H2O, 386.2858(CALCD.FOR C25H38O3=386.2818) (038)" "038/" "魚類 (039/040)" "039/040/" "BA0479" 5.00 "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " (REF:041)" " OH" " \/\ト" " オ オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/" " オ オ オ" " ト\/レ/ナ" " HO H OH" "041/" "110-112゚C (METHYL ESTER DERIVATIVE) (041)" "M/D +34゚ (METHYL ESTER DERIVATIVE)(041)" "[α]23/D +8゚ (METHYL ESTER DERIVATIVE)(041)" "041/" "METHYL ESTER DERIVATIVE, MS,M/Z(%INT.) : 422[M+](7.6),404[M-18](41.6),386 [M-2x18](100),371[M-15-2x18](40.1), 332[M-18-A環](11.3), 315[M-18-C23-C24] (13.0), 297[M-2x18-C23-C24](23.3), 273[M-18-side Chain S.C.](25.0), 264[M-S.C.-C16-17](31.5), 255[M-2x18213][M-15-2x18-S.C.-C16-C17](24.9),201[M-18-A環-S.C.](12.1)(041)" "041/" "ヒト尿(042), アザラシ,トド(043)" "042/043/" "BA0480" 5.00 "(23S)-3α,7α,23-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " (REF:041)" " OH" " \/\ム" " オ オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/" " オ オ オ" " ト\/レ/ナ" " HO H OH" "041/" "197-199゚C (METHYL ESTER DERIVATIVE) (041)" "M/D +84゚ (METHYL ESTER DERIVATIVE)(041)" "[α]23/D +20゚ (METHYL ESTER DERIVATIVE)(041)" "041/" "METHYL ESTER DERIVATIVE, MS,M/Z(%INT.):422[M+](10.8),404[M-18](45.0),386[M-2x18](100),371[M-15-2x18](31.2),332[M-18-A環](8.5),315[M-18-C23-C24](12.2),297[M-2x18-C23-C24](21.8), 273[M-18-SIDE CHAIN S.C.](27.7), 264[M-S.C.-C16-C17](33.1),255[M-2x18-S.C.](3)201[M-18-S.C.-A環](9.5) (041)" "041/" "BA0481" 5.00 "(23R)-3α,7α,12α,23-TETRAHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O6" 24.00 40.00 6.00 0.00 0.00 0.00 424 " (REF:041)" " OH" " HO \/\ト" " ツ オ オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/" " オ オ オ" " ト\/レ/ナ" " HO H OH" "041/" "194-196゚C (METHYL ESTER DERIVATIVE) (041)" "M/D +136(METHYL ESTER DERIVATIVE)(041)" "[α]23/D +31゚ (METHYL ESTER DERIVATIVE)(041)" "041/" "ヒト尿(011/013/042/044/045), ヒト血清(044), ヒト胎便(046), アザラシ,トド,ヘビ (043)" "011/013/042/044/045/046/043/" "BA0482" 5.00 "(23S)-3α,7α,12α,23-TETRAHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O6" 24.00 40.00 6.00 0.00 0.00 0.00 424 " (REF:041)" " OH" " HO \/\ト" " ツ オ オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/" " オ オ オ" " ト\/レ/ナ" " HO H OH" "041/" "195-197゚C (METHYL ESTER DERIVATIVE) (041)" "M/D +180 (METHYL ESTER DERIVATIVE)(041)" "[α]23/D +41゚ (METHYL ESTER DERIVATIVE)(041)" "041/" "BA0483" 5.00 "7-OXO-5β-CHOLAN-24-OIC ACID" "C24H38O3" 24.00 38.00 3.00 0.00 0.00 0.00 374 " (REF:047)" " \/\" " オ オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/" " オ オ オ" " \/レ/ケ" " H O" "047/" "150-151゚C (049)" "049/" "1700-1730cm-1 (047)" "1H-NMR(CDCl3)δ: 0.67(3H,s,18-CH3), 1.19(3H,s,19-CH3) (047) 13C-NMR(CDCl3)(METHYL ESTER DERIVATIVE) δ: C-1 36.4,C-2 21.6,C-3 26.5,C-4 28.1,C-5 47.6,C-6 45.8,C-7 212.2,C-8 49.5,C-9 42.8,C-10 35.8,C-11 20.6,C-12 39.0,C-13 42.8,C-14 49.0,C-15 24.8,C-16 2" "MS (METHYL ESTER DERIVATIVE) M/Z : 388[M+], 273, 245(BASE PEAK) (047)" "047/048/" "ヒト尿(003)" "003/" "BA0484" 5.00 "12-OXO-5β-CHOLAN-24-OIC ACID" "C24H38O3" 24.00 38.00 3.00 0.00 0.00 0.00 374 " (REF:047)" " O \/\" " セ オ オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/" " オ オ オ" " \/レ/" " H" "047/" "184.5-187゚C (047)" "047/" "1720,1700cm-1 (047)" "1H-NMR(CDCl3)δ: 1.12(3H,s,18-CH3), 1.07(3H,s,19-CH3) (047) 13C-NMR(CDCl3)(METHYL ESTER DERIVATIVE) δ: C-1 37.5,C-2 21.0,C-3 26.9,C-4 27.4,C-5 43.1,C-6 26.9,C-7 26.2,C-8 35.8,C-9 44.3,C-10 36.2,C-11 38.1,C-12 214.9,C-13 57.5,C-14 58.7,C-15 24.3,C-16 27" "MS,M/Z : 374[M+], 273, 233(BASE PEAK) (047)" "047/048/" "ヒト尿(003)" "003/" "BA0485" 5.00 "3,7-DIOXO-5β-CHOLAN-24-OIC ACID" "C24H36O4" 24.00 36.00 4.00 0.00 0.00 0.00 388 " (REF:049)" " \/\" " オ オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/" " オ オ オ" " エ\/レ/ケ" " O H O" "049/" "145゚C (049)" "049/" "1H-NMR(CDCl3) (METHYL ESTER DERIVATIVE)δ : 0.70(3H,s,18-CH3), 1.29(3H,s,19-CH3), 0.92(3H,d,J=5Hz,21-CH3),3.63(3H,s,COOCH3) (050) 13C-NMR(CDCl3) (METHYL ESTER DERIVATIVE)δ: C-1 35.4,C-2 36.6,C-3 210.7,C-4 42.9,C-5 47.7,C-6 44.9,C-7 209.7,C-8 49.5,C-9 C-18 12.0,C-19 22.3,C-20 35.1,C-21 18.3,C-22 31.0,C-23 31.0,C-24 174.3,C-25 51.3 (048)" "050/048/" "BA0486" 5.00 "7,12-DIOXO-5β-CHOLAN-24-OIC ACID" "C24H36O4" 24.00 36.00 4.00 0.00 0.00 0.00 388 " (REF:047)" " O \/\" " セ オ オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/" " オ オ オ" " \/レ/ケ" " H O" "047/" "180-182.5゚C (047)" "047/" "1720-1710,1700cm-1 (047)" "1H-NMR(CDCl3)δ: 1.05(3H,s,18-CH3), 1.31(3H,s,19-CH3) (047) 13C-NMR(CDCl3) (METHYL ESTER DERIVATIVE)δ: C-1 36.4,C-2 20.4,C-3 26.2,C-4 28.2,C-5 46.7,C-6 45.8,C-7 209.8,C-8 49.0,C-9 45.6,C-10 36.6,C-11 38.4,C-12 212.8,C-13 56.9,C-14 52.0,C-" "MS M/Z : 388[M+], 370, 287, 247(BASE PEAK)(047)" "047/048/" "BA0487" 5.00 "3,7,12-TRIOXO-5β-CHOLAN-24-OIC ACID" "C24H34O5" 24.00 34.00 5.00 0.00 0.00 0.00 402 " (REF:049)" " O \/\" " セ オ オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/" " オ オ オ" " エ\/レ/ケ" " O H O" "049/" "237゚C (049)" "[α]20/D +26゚ (049)" "049/" "1H-NMR(CDCl3)(METHYL ESTER DERIVATIVE)δ: 1.07(3H,s,18-CH3), 1.39(3H,s,19-CH3),0.84(3H,d,J=5Hz,21-CH3),3.63(3H,s,COOCH3),(050) 13C-NMR(CDCl3)(METHYL ESTER DERIVATIVE)δ: C-1 35.2,C-2 36.4,C-3 208.6,C-442.7,C-5 46.7,C-6 44.9,C-7 208.4,C-8 49.0,C-9 4 C-18 11.7,C-19 21.8,C-20 35.4,C-21 18.5,C-22 31.3,C-23 30.4,C-24 174.3,C-25 51.3 (048)" "050/048/" "BA0488" 5.00 "7β-HYDROXY-3-OXO-5β-CHOLAN-24-OIC ACID" "C24H38O4" 24.00 38.00 4.00 0.00 0.00 0.00 390 " (REF:051)" " \/\" " オ オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/" " オ オ オ" " エ\/レ/ヤ" " O H OH" "051/" "73-75゚C (051)" "[α]/D +67゚ (051)" "051/" "1H-NMR(DMSO-d6)δ: 0.65(3H,s,18-CH3), 0.89(3H,d,J=6.3Hz,21-CH3), 0.96(3H,s,19-CH3), 3.28(1H,dt,J1=10.6Hz,J2=4.5Hz,7α-H) (051)" "051/" "BA0489" 5.00 "6α,7α-DIHYDROXY-3-OXO-5β-CHOLAN-24-OIC ACID" "C24H38O5" 24.00 38.00 5.00 0.00 0.00 0.00 406 " (REF:051)" " \/\" " オ オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/" " オ オ オ" " エ\/レ/ナ" " O H ツ OH" " OH" "051/" "195-197゚C(051)" "[α]/D +12゚ (051)" "051/" "1H-NMR(PYRIDINE-d5)δ: 0.64(3H,s,18-CH3), 0.89(3H,d,J=6.3Hz,21-CH3), 0.94(3H,3H,s,19-CH3),3.61(2H,m,6β- AND 7β-H) (051)" "051/" "BA0490" 5.00 "3α-HYDROXY-7,12-DIOXO-5β-CHOLAN-24-OIC ACID" "C24H36O5" 24.00 36.00 5.00 0.00 0.00 0.00 404 " (REF:052)" " O \/\" " セ オ オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/" " オ オカ" " ト\/レ/ケ" " HO H O" "052/" "190-191゚C (052)" "[α]/D +32゚ (052)" "052/" "1H-NMR(DMSO-d6)δ: 0.98(3H,s,18-CH3), 1.24(3H,s,19-CH3), 0.74(3H,d,J=6.3Hz,21-CH3),3.33(1H,sept,J=10.7 AND 4.6Hz, 3β-H)(052) 13C-NMR(CDCl3)(METHYL ESTER DERIVATIVE)δ:C-1 34.1,C-2 29.6,C-3 70.2,C-437.3,C-5 45.2,C-6 45.4,C-7 209.8,C-8 48.9,C-9 45.5,C-1 C-18 11.8,C-19 22.4,C-20 35.5,C-21 18.6,C-22 31.3,C-23 30.5,C-24 174.6 (053)" "MS (METHYL ESTER TRIFLUOROACETATE DERIVATIVE:Me-TFA) M/Z : 245[M-114-155](BASE PEAK), 359[M-155], 496[M-18], 400[M-114], 514[M+] (054)" "052/053/054/" "ヒト尿(054)" "054/" "BA0491" 5.00 "3β-HYDROXY-7,12-DIOXO-5β-CHOLAN-24-OIC ACID" "C24H38O5" 24.00 36.00 5.00 0.00 0.00 0.00 404 " (REF:052)" " O \/\" " セ オ オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/" " オ オカ" " ユ\/レ/ケ" " HO H O" "052/" "270-272゚C (052)" "[α]/D +22゚ (052)" "052/" "1H-NMR(DMSO-d6)δ: 0.98(3H,s,18-CH3), 1.26(3H,s,19-CH3), 0.74(3H,d,J=6.3Hz,21-CH3),3.79(1H,t,J=3.0Hz, 3α-H)(052)" "052/" "BA0492" 5.00 "7α-HYDROXY-3,12-DIOXO-5β-CHOLAN-24-OIC ACID" "C24H38O5" 24.00 36.00 5.00 0.00 0.00 0.00 404 " (REF:052)" " O \/\" " セ オ オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/" " オ オカ" " エ\/レ/ナ" " O H OH" "052/" "193-195゚C (052)" "[α]/D +73゚ (052)" "052/" "1H-NMR(DMSO-d6)δ: 1.00(3H,s,18-CH3), 1.05(3H,s,19-CH3), 0.77(3H,d,J=6.3Hz, 21-CH3),3.78(1H,q,J=3.3Hz, 7β-H)(052) 13C-NMR(CDCl3)(METHYL ESTER-ACETATE DERIVATIVE:Me-Ac) δ:C-1 36.3,C-2 36.5, C-3 211.1,C-4 44.4,C-5 41.9,C-6 31.1,C-7 70.3,C-8 38.6,C C-16 27.3,C-17 46.3,C-18 11.5,C-19 21.3,C-20 35.5,C-21 18.5,C-22 31.0,C-23 30.4,C-24 174.5(053)" "052/053/" "BA0493" 5.00 "7β-HYDROXY-3,12-DIOXO-5β-CHOLAN-24-OIC ACID" "C24H38O5" 24.00 36.00 5.00 0.00 0.00 0.00 404 " (REF:052)" " O \/\" " セ オ オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/" " オカ カ" " エ\/レ/ヤ" " O H OH" "052/" "187-189゚C (052)" "[α]/D +90゚ (052)" "052/" "1H-NMR(DMSO-d6)δ: 1.01(3H,s,18-CH3), 1.05(3H,s,19-CH3), 0.77(3H,d,J=6.3Hz,21-CH3),3.40(1H,dt,J=10.6 AND 4.5Hz, 7α-H)(052)" "MS(POSITIVE FAB), M/Z(%INT.): 405[(M+H)+](100), 387(98), 369(30), 353(14), 351(17), 341(21), 323(12), 263(12), 219(9), 145(18), 121(23), 105(35) (052)" "052/" "BA0494" 5.00 "12α-HYDROXY-3,7-DIOXO-5β-CHOLAN-24-OIC ACID" "C24H38O5" 24.00 36.00 5.00 0.00 0.00 0.00 404 " (REF:052)" " HO \/\" " ツ オ オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/" " オ オカ" " エ\/レ/ケ" " O H O" "052/" "168-170゚C (052)" "[α]/D -9゚ (052)" "052/" "1H-NMR(DMSO-d6)δ: 0.63(3H,s,18-CH3), 1.22(3H,s,19-CH3), 0.93(3H,d,J=6.3Hz,21-CH3),3.83(1H,t,J=3.2Hz, 12β-H)(052)" "052/" "BA0495" 5.00 "3β,7α-DIHYDROXYCHOL-4-EN-24-OIC ACID" "C24H38O4" 24.00 38.00 4.00 0.00 0.00 0.00 390 " (REF:055)" " \/\" " オ オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/" " オ オカ" " ユ\キ\/ナ" " HO OH" "055/" "229-231゚C(DEC.) (055)" "[α]23/D +40.8±0.5゚C (055)" "055/" "鶏(めん)(055), ヒト胆汁(056)" "055/056/" "BA0496" 5.00 "(22E)-3α,7α-DIHYDROXY-5β-CHOL-22-EN-24-OIC ACID" "22-DEHYDROCHENODEOXYCHOLIC ACID" "C24H38O4" 24.00 38.00 4.00 0.00 0.00 0.00 390 " (REF:057)" " \/ケ" " オ オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/" " オ オカ" " ト\/レ/ナ" " HO H OH" "057/" "OIL (METHYL ESTER DERIVATIVE) (057)" "057/" "METHYL ESTER DERIVATIVE: 1650(△22), 1730(COOCH3), 3400(OH) (057)" "1H-NMR(CDCl3) (METHYL ESTER DERIVATIVE)δ: 0.68(3H,s,18-CH3), 0.95(3H,s,19-CH3), 1.03(3H,d,J=6Hz,21-CH3),3.65(3H,s,COOCH3),3.60(1H,m,3β-H),3.93(1H,m,7β-H),5.82(1H,d,J=15.3Hz,23-H),6.89(1H,dd,J=15.3 AND 7.2Hz,22-H)(057)""" "MS (METHYL ESTER-TRIMETHYLSILYL ETHER DERIVATIVE:Me-TMS) : M/Z(%INT.) : 458[M-90](4), 443[M-15-90](3), 368[M-2x90](100), 353[M-15-2x90](15), 255[M-2x90-SIDE CHAIN S.C.](32), 243[C-3〜C-7](8) (057)" "057/" "BA0497" 5.00 "(22E)-3α,7β-DIHYDROXY-5β-CHOL-22-EN-24-OIC ACID" "22-DEHYDROURSODEOXYCHOLIC ACID" "C24H38O4" 24.00 38.00 4.00 0.00 0.00 0.00 390 " (REF:057)" " \/ケ" " オ オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/" " オ オカ" " ト\/レ/ヤ" " HO H OH" "057/" "229-230゚C (057)" "057/" "METHYL ESTER DERIVATIVE : 1650(△22), 1730(COOCH3), 3400(OH) (057)" "1H-NMR(CDCl3) (METHYL ESTER DERIVATIVE)δ: 0.69(3H,s,18-CH3), 0.95(3H,s,19-CH3), 1.06(3H,d,J=6Hz,21-CH3), 3.65(3H,s,COOCH3), 3.75(2H,m,3β- AND 7α-H), 5.85(1H,d,J=15.3Hz, 23-H), 6.95(1H,dd,J=15.3 AND 7.2Hz,22-H) (057)""" "MS (METHYL ESTER-TRIMETHYLSILYL ETHER DERIVATIVE;Me-THS) : M/Z(%INT.) ; 621[M-15](16),458[M-90](100),443[M-15-90](9),368[M-2x90](26),353[M-15-2x90] (13),345[M-90-SIDE CHAIN S.C.](8),255[M-2x90-S.C.](49),243(C-3〜C-7,](20)" "057/" "BA0498" 5.00 "(22E)-3α,12α-DIHYDROXY-5β-CHOL-22-EN-24-OIC ACID" "22-DEHYDRODEOXYCHOLIC ACID" "C24H38O4" 24.00 38.00 4.00 0.00 0.00 0.00 390 " (REF:057)" " HO \/ケ" " ツ オ オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/" " オ オカ" " ト\/レ/" " HO H" "057/" "98-100゚C (METHYL ESTER DERIVATIVE)(057)" "057/" "METHYL ESTER DERIVATIVE : 1640(△22), 1720(COOCH3), 3400(OH) (057)" "1H-NMR(CDCl3) (METHYL ESTER DERIVATIVE) δ: 0.73(3H,s,18-CH3), 0.94(3H,s,19-CH3), 1.23(3H,d,J=6Hz,21-CH3),3.65(3H,s,COOCH3), 3.80(1H,m,3β-H), 4.07(1H,m,12β-H), 5.85(1H,d,J=15.3Hz, 23-H), 6.98(1H,dd,J=15.3 AND 7.2Hz,22-H)""" "MS (METHYL ESTER-TRIMETHYL SILYL ETHER DERIVATIVE ; Me-TMS) M/Z (% INT.) : 548[M+](13),533[M-15](19),458[M-90](8), 368[M-2x90](11), 353[M-15-2x90](7),345[M-90-SIDE CHAIN S.C.](17), 255[M-2x90-S.C.](100) (057)" "057/" "BA0499" 5.00 "(22E)-3α,7α,12α-TRIHYDROXY-5β-CHOL-22-EN-24-OIC ACID" "22-DEHYDROCHOLIC ACID" "C24H38O5" 24.00 38.00 5.00 0.00 0.00 0.00 406 " (REF:057)" " HO \/ケ" " ツ オ オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/" " オ オカ" " ト\/レ/ナ" " HO H OH" "057/" "181-183゚C (METHYL ESTER DERIVATIVE) (057)" "057/" "METHYL ESTER DERIVATIVE : 1650(△22), 1730(COOCH3), 3400(OH) (057)" "1H-NMR(CDCl3)(METHYL ESTER DERIVATIVE) δ: 0.78(3H,s,18-CH3), 0.97(3H,s,19-CH3), 1.28(3H,d,J=6Hz,21-CH3), 3.65(3H,s,COOCH3) 3.60(1H,m,3β-H), 3.98(1H,m,7β-H),4.09(1H,m,12β-H), 5.82(1H,d,J=15.3Hz,23-H),6.95(1H,dd,J=15.3 AND7.2Hz,22-H) (057)""" "MS (METHYL ESTER TRIMETHYLSILYL ETHER DERIVATIVE:Me-TMS) M/Z(%INT.) : 636 [M+](4),621[M-15](7),546[M-90](14),531[M-15-90](5),456[M-2x90](39),441[M-15-2x90](7),366[M-3x90](32),351[M-15-3x90](20),433[M-90-SIDE CHAIN(S.C.)](4),343[M-2x90-S.C.](24),253[M-3x" "057/" "ヒト胆汁(058)" "058/" "BA0500" 5.00 "3-OXOCHOL-4-EN-24-OIC ACID" "C24H36O3" 24.00 36.00 3.00 0.00 0.00 0.00 372 " (REF:059)" " \/\" " オ オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/" " オ オカ" " エ\キ\/" " O" "059/" "184-186゚C (059)" "059/" "UV(METHYL ESTER DERIVATIVE) λmax =240(16500)nm (060)" "METHYL ESTER DERIVATIVE : 3030, 1745, 1680, 1620cm-1 (060)" "1H-NMR(CDCl3)δ: 0.72(3H,s,18-CH3), 0.94(3H,d,J=6Hz,21-CH3), 1.19(3H,s,19-CH3), 5.74(1H,s,4-H)(059), 13C-NMR(CDCl3)(METHYL ESTER DERIVATIVE)δ: C-1 35.7,C-2 33.9,C-3 199.4,C-4 123.8,C-5 171.4,C-6 32.9,C-7 32.0,C-8 35.7,C-9 53.7,C-10 38.6,C-11 21.0, C-23 31.0,C-24 174.6,C-25 51.4(060)" "MS (METHYL ESTER DERIVATIVE) M/Z(%INT.) : 386[M+](17),271(3),263(6),244(5),229(26),124(100) (060)" "060/059/" "ヒト糞便(061)" "061/" "BA0501" 5.00 "7α-HYDROXY-3-OXOCHOL-4-EN-24-OIC ACID" "C24H36O4" 24.00 36.00 4.00 0.00 0.00 0.00 388 " (REF:009)" " \/\" " オ オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/" " オ オカ" " エ\キ\/ナ" " O OH" "009/" "227-229゚C (009)" "009/" "UVλmax (ε) : 242(15900)nm (009)" "1718(C=O),1630(4-ENE),3500(OH) (009)" "1H-NMR(CDCl3+20%DMSO-d6)δ: 0.71(3H,s,18-CH3), 0.93(3H,d,J=5.4Hz,21-CH3), 1.19(3H,s,19-CH3), 3.91(1H,m,7β-H),5.70(1H,s,4-H)(009)""" "009/" "ヒト尿(062)" "062/" "BA0502" 5.00 "7α,12α-DIHYDROXY-3-OXOCHOL-4-EN-24-OIC ACID" "C24H36O5" 24.00 36.00 5.00 0.00 0.00 0.00 404 " (REF:015)" " HO \/\" " ツ オ オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/" " オ オカ" " エ\キ\/ナ" " O OH" "015/" "235-237゚C (015)" "015/" "UVλmax (ε) : 244(18000)nm (015)" "1708(C=O), 1620(4-ENE)(015)" "1H-NMR(CDCl3+20%DMSO-d6)δ: 0.72(3H,s,18-CH3), 0.99(3H,d,J=5.4Hz,21-CH3), 1.17(3H,s,19-CH3), 3.93(2H,m,7β- AND 12β-H),5.72(1H,s,4-H) (015)""" "015/" "ヒト尿(062), ヒト胃液(030)" "030/062/" "BA0503" 5.00 "3-OXOCHOLA-4,6-DIEN-24-OIC ACID" "C24H34O3" 24.00 34.00 3.00 0.00 0.00 0.00 370 " (REF:009)" " \/\" " オ オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/" " オ オカ" " エ\キ\キ" " O" "009/" "197-198゚C (009)" "009/" "UVλmax (ε) : 284(30500)nm (009)" "1710(C=O), 1628, 1608,(4,6-DIENE)(009)" "1H-NMR(CDCl3)δ: 0.77(3H,s,18-CH3), 0.95(3H,d,J=5.4Hz,21-CH3), 1.11(3H,s,19-CH3), 5.69(1H,s,4-H), 6.12(2H,s,6- AND 7-H) (009)" "009/" "ヒト尿(062)" "062/" "BA0504" 5.00 "3β-HYDROXY-5α-CHOLAN-24-OIC ACID" "C24H40O3" 24.00 40.00 3.00 0.00 0.00 0.00 376 " (REF:063)" " \/\" " オ オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/" " オ オカ" " ユ\/ハ/" " HO H" "063/" "208-211゚C (063)" "[α]/D +33.3゚ (063)" "063/" "1705(C=O)(063)" "1H-NMR(CDCl3-CH3OH)δ:0.69(3H,s,18-CH3), 0.81(3H,s,19-CH3), 0.95(3H,d,J=6Hz,21-CH3), 3.20〜3.75(1H,m,3α-H)(063)" "MS M/Z: 376[M+](063)" "063/" "ヒト糞便(010), ヒト血清(064)" "010/064/" "BA0505" 5.00 "3α,6α,7α-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "ALLOHYOCHOLIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " (REF:065)" " \/\" " オ オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/" " オ オカ" " ト\/ハ/ナ" " HO H ツ OH" " OH" "065/" "272-273゚C (065)" "[α]25/D +30゚(065)" "065/" "3367, 3257, 1709(COOH), 1163, 1095, 1048, 1010, 962 (065)" "MS (METHYL ESTER DERIVATIVE) M/Z : 422[M+], 407[M-15], 404[M-18], 389[M-15-18], 386[M-2x18], 373[M-18-31], 371[M-15-2x18], 368[M-3x18],355[M-31-2x18],353[M-15-3x18], 337[M-31-3x18], 289[M-18-115(SIDE CHAIN)], 271[M-2x18-115],253[M-3x18-115] (065)" "065/" "BA0506" 5.00 "3α,6β,7α-TRIHYDROXY-5α-CHOLAN-24-OIC ACID" "ALLO-α-MURICHOLIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " (REF:065)" " \/\" " オ オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/" " オ オカ" " ト\/ハ/ナ" " HO H ミ OH" " OH" "065/" "261-262゚C (065)" "[α]25/D 0゚(065)" "065/" "3444, 1704(COOH), 1307, 1266, 1166, 1104, 1047, 1000(3α-OH-5α-) (065)" "MS(METHYL ESTER DERIVATIVE) : M/Z 422[M+], 407[M-15], 404[M-18], 389[M-15-18], 386[M-2x18], 373[M-18-31], 371[M-15-2x18], 368[M-3x18],355[M-31-2x18],353[M-15-3x18], 337[M-31-3x18], 289[M-18-115(SIDE CHAIN)], 271[M-2x18-115],253[M-3x18-115] (065)" "065/" "BA0507" 5.00 "3α,6α,7β-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "ALLO-ω-MURICHOLIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " (REF:065)" " \/\" " オ オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/" " オ オカ" " ト\/ハ/ヤ" " HO H ツ OH" " OH" "065/" "192-193゚C (AS METHYL ESTER DERIVATIVE) (065)" "[α]25/D +19.9゚ (AS METHYL ESTER DERIVATIVE) (065)" "065/" "METHYL ESTER DERIVATIVE : 3448, 3279, 1739(COOCH3), 1227, 1170, 1038, 1006 (3α-OH-5α), 965, 896 (065)" "MS (METHYL ESTER DERIVATIVE) : M/Z 422[M+], 407[M-15], 404[M-18], 389[M-15-18], 386[M-2x18], 373[M-18-31], 371[M-15-2x18], 368[M-3x18],355[M-31-2x18],353[M-15-3x18], 337[M-31-3x18], 289[M-18-115(SIDE CHAIN)], 271[M-2x18x115],253[M-3x18-115] (065)" "065/" "BA0508" 5.00 "3α,6β,7β-TRIHYDROXY-5β-CHOLAN-24-OIC ACID" "ALLO-β-MURICHOLIC ACID" "C24H40O5" 24.00 40.00 5.00 0.00 0.00 0.00 408 " (REF:065)" " \/\" " オ オ" " /\ォ\ COOH" " オカスコ" " /\ォ\/" " オ オカ" " ト\/ハ/ヤ" " HO H ミ OH" " OH" "065/" "253-255゚C (065)" "065/" "3425(OH), 3300, 1672(COOH), 1160, 1085, 1036, 1011, 972, 939, 897 (065)" "MS(METHYL ESTER DERIVATIVE) : M/Z 422[M+], 407[M-15], 404[M-18], 389[M-15-18], 386[M-2x18], 373[M-18-31], 371[M-15-2x18], 368[M-3x18],355[M-31-2x18],353[M-15-3x18], 337[M-31-3x18], 289[M-18-115(SIDE CHAIN)], 271[M-2x18-115],253[M-3x18-115] (065)" "065/" "BA0509" 5.00 "3α-HYDROXY-24-NOR-5β-CHOLAN-23-OIC ACID" "24-NORLITHOCHOLIC ACID" "C23H38O3" 23.00 38.00 3.00 0.00 0.00 0.00 362 " (REF:066)" " \/\" " オ COOH" " /\ォ\" " オカスコ" " /\ォ\/" " オ オカ" " ト\/レ/" " HO H" "066/" "183.5-184.5゚C (066)" "066/" "1H-NMR(CDCl3 +10%DMSO-d6)δ:0.71(3H,s,18-CH3),0.93(3H,s,19-CH3),0.99(3H,d, J=6.0Hz,21-CH3),3.53(1H,m,3β-H),(066) 13C-NMR(Cl3CD):METHYL ESTER DERIVATIVE δ : C-1 35.2,C-2 30.4,C-3 71.6, C-4 36.3,C-5 42.0,C-6 27.1,C-7 26.3,C-8 35.7,C-9 40.3,C-10 34 C-17 56.0,C-18 12.0,C-19 23.3,C-20 33.7,C-21 19.4,C-22 41.4, C-23 174.0,C-24 51.3 (066)" "MS M/Z(% INT.):362[M+](0.4), 344[M-18](13), 329[M-15-18](5), 302[M-60](1.5), 248[M-SIDE CHAIN-C16〜C17](1.4), 230(4), 215(28), 41(100) (067)" "066/067/" "BA0510" 5.00 "3β-HYDROXY-24-NOR-5β-CHOLAN-23-OIC ACID" "C23H38O3" 23.00 38.00 3.00 0.00 0.00 0.00 362 " (REF:067)" " \/\" " オ COOH" " /\ォ\" " オカスコ" " /\ォ\/" " オ オカ" " ユ\/レ/" " HO H" "067/" "178-179゚C (067)" "067/" "1H-NMR(METYL ESTER DERIVATIVE)(CDCl3)δ:0.69(3H,s,18-CH3),0.97(3H,s,19-CH3) ,0.97(3H,d,21-CH3),2.40(2H,d,J=10Hz,22-CH2),3.66(3H,s,COOCH3),4.10(1H,bs, 3α-H),(067)13C-NMR(METHYL ESTER DERIVATIVE)(CDCl3)δ : C-1 30.03,C-2 28.35,C-3 67.24, C-4 33.66,C-5 C-10 35.23,C-11 21.17,C-12 40.22,C-13 42.96,C-14 56.75,C-15 24.26,C-16 28.35,C-17 56.29,C-18 12.17,C-19 23.96,C-20 33.88,C-21 19.60, C-22 41.55,C-23 174.14,CH30- 51.38 (067)" "MS M/Z(%INT.) : 362[M+](4), 347[M-15](4), 344[M-18](16), 329[M-15-18](18), 248(4), 233(13), 230(2), 215(19),41(100) (067)" "067/" "BA0511" 5.00 "3α,6α-DIHYDROXY-24-NOR-5β-CHOLAN-23-OIC ACID" "24-NORHYODEOXYCHOLIC ACID" "C23H38O4" 23.00 38.00 4.00 0.00 0.00 0.00 378 " (REF:066)" " \/\" " オ COOH" " /\ォ\" " オカスコ" " /\ォ\/" " オ オカ" " ト\/レ/" " HO H ツ" " OH" "066/" "218-219.5゚C (066)" "066/" "1H-NMR(CDCl3 +10% DMSO-d6)δ: 0.67(3H,s,18-CH3),0.89(3H,s,19-CH3),1.00(3H, d,J=5.8Hz,21-CH3),3.51(1H,m,3β-H),3.97(1H,m,W1/2=24Hz,6β-H)(066) 13C-NMR(CDCl3)METHYL ESTER DERIVATIVE δ ; C-1 35.6,C-2 29.9,C-3 71.3,C-4 29.2,C-5 48.4,C-6 67.8, C-7 3 C-18 12.0,C-19 23.5,C-20 33.7,C-21 19.4,C-22 41.3,C-23 173.9,CH3 51.3 (066)" "066/" "BA0512" 5.00 "3α,7α-DIHYDROXY-24-NOR-5β-CHOLAN-23-OIC ACID" "24-NORCHENODEOXYCHOLIC ACID" "C23H38O4" 23.00 38.00 4.00 0.00 0.00 0.00 378 " (REF:066)" " \/\" " オ COOH" " /\ォ\" " オカスコ" " /\ォ\/" " オ オカ" " ト\/レ/ナ" " HO H OH" "066/" "204-205゚C (066)" "066/" "1H-NMR(CDCl3 +10% DMSO-d6)δ: 0.69(3H,s,18-CH3),0.88(3H,s,19-CH3),0.98(3H, d,J=6.0Hz,21-CH3),3.32(1H,m,3β-H),3.73(1H,bs,7β-H)(066) 13C-NMR(Cl3CD) METHYL ESTER DERIVATIVE δ: C-1 35.2,C-2 30.5,C-3 71.8,C-4 39.4,C-5 41.3,C-6 34.6,C-7 68.3,C-8 39.3,C-C-18 11.7,C-19 22.7,C-20 33.7,C-21 19.4,C-22 41.3,C-23 174.0, CH3 51.2 (066)" "MS(Me-TMS)M/Z(%INT.):431[M-90-15](2.7), 415[M-90-31](4.3), 356[M-2x90](100), 341[M-2x90-15](23.9), 325[M-2x90-31](9.3), 255[M-2x90-SIDE CHAIN](12.4) (058)" "066/058/" "ヒト胆汁(058)" "058/" "BA0513" 5.00 "3α,7β-DIHYDROXY-24-NOR-5β-CHOLAN-23-OIC ACID" "24-NORURSODEOXYCHOLIC ACID" "C23H38O4" 23.00 38.00 4.00 0.00 0.00 0.00 378 " (REF:066)" " \/\" " オ COOH" " /\ォ\" " オカスコ" " /\ォ\/" " オ オカ" " ト\/レ/ヤ" " HO H OH" "066/" "248-250゚C (066)" "066/" "1H-NMR(CDCl3 +10% DMSO-d6)δ: 0.70(3H,s,18-CH3),0.93(3H,s,19-CH3), 0.98(3H,d,J=5.5Hz,21-CH3),3.41(2H,m,3β-AND 7α-H),(066) 13C-NMR(CDCl3)METHYL ESTER DERIVATIVE δ:C-1 34.7,C-2 30.1,C-3 71.0,C-4 37.1,C-6 36.9,C-7 71.0,C-8 43.5,C-9 39.0,C-10 33.9, C-20 33.5,C-21 19.5,C-22 41.3,C-23 173.8,CH3 51.2 (066)" "MS (METYL ESTER DEIVATIVE),M/Z(%INT):392.2925(calc.392.2926[M+](3)),374[M-18](25),359[M-18-15](16),356[M-2x18](55),341[M-2x18-15](50),302[M-2x18-54](20),283[M-2x18-CH2COOCH3](56),273[M-101(SIDE CHAIN)-18](19),264[M-101-27](27" "066/" "ヒト胆汁(058), ヒト尿(045)" "058/045/" "BA0514" 5.00 "3α,12α-DIHYDROXY-24-NOR-5β-CHOLAN-23-OIC ACID" "24-NORDEOXYCHOLIC ACID" "C23H38O4" 23.00 38.00 4.00 0.00 0.00 0.00 378 " (REF:066)" " HO \/\" " ツ オ COOH" " /\ォ\" " オカスコ" " /\ォ\/" " オ オカ" " ト\/レ/" " HO H" "066/" "212-213.5゚C (066)" "066/" "1H-NMR(CDCl3 +10% DMSO-d6)δ: 0.69(3H,s,18-CH3),0.89(3H,s,19-CH3),1.03(3H, d,J=3.0Hz,21-CH3),3.50(1H,m,3β-H),3.90(1H,bs,12β-H)(066) 13C-NMR(CDCl3) METHYL ESTER DERIVATIVEδ: C-1 35.1,C-2 30.3,C-3 71.5,C-4 36.3,C-5 41.9,C-6 27.0,C-7 26.0 C-18 12.6,C-19 23.0,C-20 33.5,C-21 18.4,C-22 41.2,C-23 173.9, CH3 51.3 (066)" "066/" "BA0515" 5.00 "3α,7α,12α-TRIHYDROXY-24-NOR-5β-CHOLAN-23-OIC ACID" "24-NORCHOLIC ACID" "C23H38O5" 23.00 38.00 5.00 0.00 0.00 0.00 394 " (REF:066)" " HO \/\" " ツ オ COOH" " /\ォ\" " オカスコ" " /\ォ\/" " オ オカ" " ト\/レ/ナ" " HO H OH" "066/" "188-190゚C(066), 195-200゚C (068)" "066/068/" "3550,3350,2650,1710,1385,1370,1225, 945, 915 cm-1(068)" "1H-NMR(CDCl3 +10% DMSO-d6)δ: 0.70(3H,s,18-CH3), 0.87(3H,s,19-CH3), 1.06 (3H,bs,W1/2=6Hz,21-CH3),3.32(1H,m,3β-H),3.75(1H,bs,7β-H),3.87(1H,bs, 12β-H)(066)13C-NMR(CDCl3)METHYL ESTER DERIVATIVE δ:C-1 35.2,C-2 30.0,C-3 71.6,C-4 39.3,C-5 41 C-11 27.9,C-12 72.8,C-13 46.3,C-14 41.3,C-15 23.1,C-16 27.5, C-17 46.9, C-18 12.3,C-19 22.3,C-20 33.6,C-21 18.4,C-22 41.2,C-23 174.0, CH3 51.3 (066)" "MS (METHYL ESTER-TRIMETHYL SILYL ETHER:Me-TMS) M/Z(%INT.): 609[M-15](3.8), 444[M-2x90](62.5),429[M-2x90-15](16.2),413[M-2x90-31](7.5),354[M-3x90](100),343[M-2x90-SIDE CHAIN(S.C.)](35.8),339[M-3x90-15](27.0),253[M-3x90-S.C.](77.7) (058)" "066/058/" "ヒト胆汁(058), ヒト尿(011〜014/020/042/044/045/071), ヒト胃液(030), ヒト胎便(046)" "058/011/012/013/014/020/042/044/045/071/030/046/" "BA0516" 5.00 "12α-HYDROXY-3-OXO-24-NOR-5β-CHOLAN-23-OIC ACID" "C23H36O4" 23.00 36.00 4.00 0.00 0.00 0.00 376 " (REF:051)" " HO \/\" " ツ オ COOH" " /\ォ\" " オカスコ" " /\ォ\/" " オ オカ" " エ\/レ/" " HO H" "051/" "216-218゚C (051)" "[α]/D +56゚(051)" "051/" "1H-NMR(DMSO-d6)δ: 0.66(3H,s,18-CH3), 0.94(3H,s,19-CH3), 0.97(3H,d,J=6.7Hz, 21-CH3), 3.81(1H,t,J=2.8Hz,12β-H)(051)" "051/" "BA0517" 5.00 "3α,7α,12α-TRIHYDROXY-24-NOR-5α-CHOLAN-23-OIC ACID" "24-NOR-5α-CHOLIC ACID, ALLONORCHOLIC ACID" "C23H38O5" 23.00 38.00 5.00 0.00 0.00 0.00 394 " (REF:068)" " HO \/\" " ツ オ COOH" " /\ォ\" " オカスコ" " /\ォ\/" " オ オカ" " ト\/ハ/ナ" " HO H OH" "068/" "248-250゚C (068)" "[α]/D +25.6゚(068)" "068/" "3465-3365,2924,1704,1272,1202,1190,1165,1125,1066,1035,958,944,930,892cm-1 (068)" "1H-NMR(CDCl3) METHYL ESTER δ: 0.72(3H,s,18-CH3), 0.76(3H,s,19-CH3), 1.02 (3H,d,J=4Hz, 21-CH3), 2.75-2.50(3H,m,-OH), 3.66(3H,s,COOCH3), 4.16-3.50 (3H,m,3β,7β-,12β-H) (068)""" "MS (METHYL ESTER DERIVATIVE) M/Z (%INT.) : 408[M+](10.4),390[M-18](6),372[M-2x18](71), 354[M-3x18](19), 335[M-73](4), 317[M-18-73](11), 299[M-2x18-73](25), 289[M-18-101](14), 271[M-2x18-101](100), 253[M-3x18-101](49), 247(43)" "068/" "ヒト胆汁(058/069), ヒト尿(069/071)" "058/069/071/" "BA0518" 5.00 "3β,7α,12α-TRIHYDROXY-24-NOR-5α-CHOLAN-23-OIC ACID" "C23H38O5" 23.00 38.00 5.00 0.00 0.00 0.00 394 " (REF:068)" " HO \/\" " ツ オ COOH" " /\ォ\" " オカスコ" " /\ォ\/" " オ オカ" " ユ\/ハ/ナ" " HO H OH" "068/" "235-237゚C (068)" "[α]/D +27.60゚ (068)" "068/" "3490-3370,2925,1700,1272,1260,1240,1188,1160,1088,1035,958,944,925,892cm-1 (068)" "1H-NMR(CDCl3) METHYL ESTER δ: 0.73(3H,s,18-CH3), 0.80(3H,s,19-CH3), 1.02 (3H,d,J=4Hz,21-CH3), 3.66(3H,s,COOCH3), 4.00-3.50(3H,m,3α,7β,12β-H)(068)""" "MS (METHYL ESTER DERIVATIVE) M/Z (%INT.): 408[M+], 390[M-18](5),372[M-2x18](63), 354[M-3x18](3), 335[M-73](4), 317[M-18-73](13), 299[M-2x18-73](29), 289[M-18-101](22), 271[M-2x18-101](100), 253[M-3x18-101](20), 247(36) (068)" "068/" "BA0519" 5.00 "(20S)-3α-HYDROXY-23,24-BISNOR-5β-CHOLAN-22-OIC ACID" "C22H36O3" 22.00 36.00 3.00 0.00 0.00 0.00 348 " COOH (REF:067)" " ナ/" " チ" " /\ォ\" " オカスコ" " /\ォ\/" " オ オカ" " ト\/レ/" " HO H" "067/" "160-162゚C (METHYL ESTER DERIVATIVE) (067)" "067/" "MS(20eV)(METHYL ESTER DERIVATIVE) M/Z (%INT.): 362[M+](2),344[M-18](70),329[M-15-18](25),312[M-18-CH3OH](3),297[M-15-18-CH3OH](4),290[M- C-1〜C-4フラグメント](19),257[M-18-SIDE CHAIN S.C.](10),248[M-S.C.- C-16〜C-17フラグメント](9)" "067/" "ヒト胎便(070)" "070/" "BA0520" 5.00 "(20S)-3β-HYDROXY-23,24-BISNOR-5β-CHOLAN-22-OIC ACID" "C22H36O3" 22.00 36.00 3.00 0.00 0.00 0.00 348 " COOH (REF:067)" " ナ/" " チ" " /\ォ\" " オカスコ" " /\ォ\/" " オ オカ" " ユ\/レ/" " HO H" "067/" "120-122゚C (METHYL ESTER DERIVATIVE) (067)" "067/" "MS(20eV)(METHYL ESTER DERIVATIVE) M/Z (%INT.): 362[M+](20), 347[M-15](21), 344[M-18](95), 329[M-15-18](29), 312[M-18-CH3OH](2), 297[M-15-18-CH3OH](5),290[M-A環の一部](16), 285[M-15-18-COOCH3](6), 257[M-18-SIDE CHAIN S.C.](7),248[M-S.C.-C-16〜C-17フラグメント]" "067/" "BA0521" 5.00 "3α,12α-DIHYDROXY-7-OXO-23,24-DINOR-5β-CHOLAN-22-OIC ACID" "C22H34O5" 22.00 34.00 5.00 0.00 0.00 0.00 378 " COOH (REF:071)" " HO \/" " ツ オ" " /\ォ\" " オカスコ" " /\ォ\/" " オ オカ" " ト\/レ/ケ" " HO H O" "071/" "199-200゚C (071)" "071/" "1H-NMR(C5H5N-d5)δ:0.78(3H,s,18-CH3),1.06(3H,s,19-CH3),1.15(3H,d,J=6Hz,21-CH3),3.69(1H,m,3β-H),4.13(1H,m,12β-H) (071)" "071/" "ヒト尿(071)" "071/" "BA0522" 5.00 "3α,7α-DIHYDROXY-12-OXO-23,24-DINOR-5β-CHOLAN-22-OIC ACID" "C22H34O3" 22.00 34.00 5.00 0.00 0.00 0.00 378 " COOH (REF:071)" " O \/" " セ オ" " /\ォ\" " オカスコ" " /\ォ\/" " オ オカ" " ト\/レ/ナ" " HO H OH" "071/" "262゚C (071)" "071/" "1H-NMR(C5H5N-d5)δ: 1.04(3H,s,18-CH3), 1.09(3H,s,19-CH3), 1.13(3H,d,J=6Hz, 21-CH3), 3.88(1H,m,3β-H), 4.01(1H,m,7β-H) (071)" "071/" "ヒト尿(071)" "071/" "BA0523" 5.00 "3α-HYDROXY-5β-PREGNAN-21-OIC ACID" "C21H34O3" 21.00 34.00 3.00 0.00 0.00 0.00 334 " COOH (REF:067)" " /" " オ" " /\ォ\" " オカスコ" " /\ォ\/" " オ オカ" " ト\/レ/" " HO H" "067/" "217-218゚C (067)" "067/" "MS(20eV)(ETHYL ESTER DERIVATIVE) M/Z(% INT.): 362[M+](2),344[M-18](100), 329[M-15-18](61), 317[M-C2H5O](4), 316[M-C2H5OH](4),298[M-18-C2H5OH](4), 290[M-C-1〜C-4フラグメント](12), 283[M-15-18-C2H5OH](5), 256[M-18-SIDE CHAIN (S.C.)-1](9), 248[M-S.C.-C-16〜C" "067/" "BA0524" 5.00 "3β-HYDROXY-5β-PREGNAN-21-OIC ACID" "C21H34O3" 21.00 34.00 3.00 0.00 0.00 0.00 334 " COOH (REF:067)" " /" " オ" " /\ォ\" " オカスコ" " /\ォ\/" " オ オカ" " ユ\/レ/" " HO H" "067/" "217.5-219゚C (067)" "067/" "BA0525" 5.00 "3β-HYDROXYPREGN-5-EN-21-OIC ACID" "C21H32O3" 21.00 32.00 3.00 0.00 0.00 0.00 332 " COOH (REF:070)" " /" " オ" " /\ォ\" " オカスコ" " /\ォ\/" " オ オカ" " ユ\/ク/" " HO" "070/" "110-114゚C (METHYL ESTER DERIVATIVE)(070)" "070/" "1H-NMR(CDCl3)(METHYL ESTER DERIVATIVE)δ: 0.62(3H,s,18-CH3), 1.02(3H,s,19-CH3), 2.30(2H,bd,20-CH2), 3.50(1H,m,3α-H), 3.66(3H,s,COOCH3), 5.36(1H,bd,J=4Hz,6-H) (070)""" "070/" "ヒト胎便(070)" "070/" "BA0526" 5.00 "N-[(3α,5β,7β)-3,7-DIHYDROXY-24-OXOCHOLAN-24-YL]-4-TRANS-METHOXY-L-PROLINE" "C30H49O6N" 30.00 49.00 6.00 1.00 0.00 0.00 519 " (REF: )" " \/\" " モH オ" " /\ォ\ C=O" " カ カスコ |" " /\ォ\/ナ N COOH" " オカ カ H / \ム" " ユハ/レ/ラ カススコナ" " H OH H HO H ラ H" " H OMe" "118-124゚C(214)" "[α]20/=+17.3゚(MeOH)(214)" "30μM(WATER)(214)" "214/" "(NUJOL) 3360, 1719, 1625cm-1(214)" "1H-NMR(CDCl3) 0.67(s,3H), 0.85(s,3H), 0.9(d,3H), 0.8-2.4(COMPLEX PATTERN,30H), 3.5(s,3H), 3.68(m,1H), 4.0(b,2H), 4.47(t,1H)(214)" "CMC:29mM, PKa:3.5 (214)" "214/" "New Bile Acids Amidated with Cyclic Amino Acids(214)" "214/" "BA0527" 5.00 "N-[(3α,5β,6α,7α)-3,6,7-TRIHYDROXY-24-OXOCHOLAN-24-YL]-L-PROLINE" "C29H47O6N" 29.00 47.00 6.00 1.00 0.00 0.00 505 " (REF: )" " \/\" " モH オ" " /\ォ\ C=O" " カ カスコ |" " /\ォ\/ナ N COOH" " オカ カ H / \ム" " ユハ/レ/ラ カススコナ" " H OH H ラOH H H" " H OH" "218-222゚C(214)" "[α]20/=-18.1゚(MeOH)(214)" "60μM(WATER)(214)" "214/" "(NUJOL) 3360, 1715, 1630cm-1(214)" "1H-NMR(CDCl3) 0.69(s,3H), 0.95(s,3H), 1.03(d,3H), 0.9-2.5(COMPLEX PATTERN,27H), 3.0(m,2H), 3.72(m,6H), 4.6(t,1H), 5.1(b,1H)(214)" "CMC:30mM, PKa:3.9 (214)" "214/" "New Bile Acids Amidated with Cyclic Amino Acids(214)" "214/" "BA0528" 5.00 "N-[(3α,5β,6α)-3,6-DIHYDROXY-24-OXOCHOLAN-24-YL]-L-PROLINE" "C29H47O5N" 29.00 47.00 5.00 1.00 0.00 0.00 489 " (REF: )" " \/\" " モH オ" " /\ォ\ C=O" " カ カスコ |" " /\ォ\/ナ N COOH" " オカ カ H / \ム" " ユハ/レ/ カススコナ" " H OH H ラ H" " H OH" "203-209゚C(214)" "[α]20/=-13.9゚(MeOH)(214)" "52μM(WATER)(214)" "214/" "(NUJOL) 3360, 1719, 1625cm-1(214)" "1H-NMR(CDCl3) 0.60(s,3H), 0.85(s,3H), 0.95(d,3H), 1.03(d,3H), 0.8-2.4(COMPLEX PATTERN,29H), 3.3(t,1H), 3.5(m,2H), 3.8(m,2H), 4.1(b,2H)(214)" "CMC:25mM, PKa:3.9 (214)" "214/" "New Bile Acids Amidated with Cyclic Amino Acids(214)" "214/" "BA0529" 5.00 "2-(R)-[2-[3α-HYDROXY-12α-(2-(S)-METHYL-1-OXOBUTOXY)-5β-ANDROSTAN-17β-YL]ETHYL]TETRAHYDRO-4-(R)-HYDROXY-2H-PYRAN-6-ONE" "C31H50O6" 31.00 50.00 6.00 0.00 0.00 0.00 518 " O (REF: )" " セ ◎" " /\/\ Hテ H O" " ユ H O ネ ナ/\キ" " メト モH ユオカ" " /\ヌ\ OH オ O" " オカスコ \/" " /\ヌ\/ナ ツ" " オカ カ H ◎" " ユハ/レ/" " H OH H" "1H-NMR(CDCl3) 0.64(s,3H), 0.90(s,3H), 0.91(t,3H,J=7Hz), 1.16(d,3H,J=7Hz), 2.40(m,1H), 2.59(m,1H), 2.72(dd,1H,J1=16Hz,J2=6Hz), 3.55-3.68(m,1H), 4.32-4.39(m,1H), 4.52-4.62(m,1H), 4.94-4.98(m,1H)(215)" "M/Z (FAB) 525.4(M+Li)(215)" "215/" "HMG-CoA REDUCTASE INHIBITOR ON CHOLESTEROL BIOSYNTHESIS IN Hep G2 CELLS IC50-Value : 1.5x10-5M (215/216)" "215/216/" "SYNTHESIS AND BIOLOGICAL ACTIVITY OF BILE ACID-DERIVED HMG-CoA REDUCTASE INHIBITORS(215)" "215/" "BA0530" 5.00 "2-(S)-[2-[3α-HYDROXY-12α-(2-(S)-METHYL-1-OXOBUTOXY)-5β-ANDROSTAN-17β-YL]ETHYL]-TETRAHYDRO-4-(S)-HYDROXY-2H-PYRAN-6-ONE" "C31H50O6" 31.00 50.00 6.00 0.00 0.00 0.00 518 " O (REF: )" " セ ◎" " /\/\ H ミ OH O" " ユ H O ネ ナ/\キ" " メト オ ユオカ" " /\ヌ\ H オ O" " オカスコ \/" " /\ヌ\/ナ ミ" " オカ カ H ◎" " ユハ/レ/" " H OH H" "1H-NMR(CDCl3) 0.64(s,3H), 0.90(s,3H), 0.91(t,3H,J=7Hz), 1.16(d,3H,J=7Hz), 2.40(m,1H), 2.59(m,1H), 2.72(dd,1H,J1=16Hz,J2=6Hz), 3.55-3.68(m,1H), 4.32-4.39(m,1H), 4.52-4.62(m,1H), 4.94-4.98(m,1H)(215)" "M/Z (FAB) 525.4(M+Li)(215)" "215/" "HMG-CoA REDUCTASE INHIBITOR ON CHOLESTEROL BIOSYNTHESIS IN Hep G2 CELLS IC50-Value : 3x10-5M (215/216)" "215/216/" "SYNTHESIS AND BIOLOGICAL ACTIVITY OF BILE ACID-DERIVED HMG-CoA REDUCTASE INHIBITORS(215)" "215/" "BA0531" 5.00 "5β-CHOLAN-24-OIC ACID" "C24H40O2" 24.00 40.00 2.00 0.00 0.00 0.00 360 " \/\ (REF:001)" " モH|" " /ェ/\ COOH" " オカスコ" " /\ォ\/ツ" " | | | H" " \/レ/" " H" "001/" "164゚C (001)" "[α]/D=+22゚ (001)" "001/" "1H-NMR(CDCl3)(002),18-CH3=0.67(s),19-CH3=0.93(s),21-CH3=0.93(d),23-CH2=2.2513C-NMR(CD2Cl2)(005),C1=37.9,C2=21.6,C3=27.4,C4=27.8,C5=44.1,C6=27.5, C7=26.9,C8=36.2,C9=40.8,C10=35.6,C11=21.1,C12=40.6, C13=43.0,C14=56.9,C15=24.4,C16=" "METHYL ESTER-TRIMETHYLSILYL ETHER DERIVATIVE (Me-TMS)(003) MOL.Wt.(FREE) Me-TMS360 374 359 217 (BASE PEAK)" "001/002/005/003/" "ヒト糞便(004)" "004/" "BA0532" 5.00 "5α-CHOLAN-24-OIC ACID" "ALLOCHOLANIC ACID" "C24H40O2" 24.00 40.00 2.00 0.00 0.00 0.00 360 " \/\ (REF:006)" " モH|" " /ェ/\ COOH" " オカスコ" " /\ォ\/ツ" " | | | H" " \/ハ/" " H" "006/" "172-173゚C, 93゚C (Me ESTER)(006)" "[α]/D=+22.2゚ (006)" "006/" "13C-NMR(CDCl3)Me ESTER(007), C1=38.6, C2=22.1, C3=26.7, C4=29.0, C5=46.9, C6=29.0, C7=32.0, C8=35.4, C9=54.7, C10=36.1, C11=20.7, C12=40.0, C13=42.5,C14=56.5, C15=24.0, C16=28.0, C17=55.8, C18=11.9, C19=12.1, C20=35.2,C21=18.1, C22=30.9, C23=30.9,C24=17" "MOL.Wt.(FREE) Me-TMS (003) 360,374, 359, 217 (BASE PEAK)" "007/003/" "BA0533" 5.00 "5β-CHOL-3-EN-24-OIC ACID" "C24H38O2" 24.00 38.00 2.00 0.00 0.00 0.00 358 " \/\ (REF:008)" " モH|" " /ェ/\ COOH" " オカスコ" " /\ォ\/ツ" " | | | H" " ク/レ/" " H" "008/" "73.5-74.5 (Me ESTER) (008)""" "[α]/D=+18゚ (Me ESTER)(008)" "008/" "1H-NMR (CCl4) Me ESTER 5.50(M,OLEFIN) (009)" "Me ESTER (010/011), 372 (M+,BASE),357 (M-15),215 Me-TMS (003), 372, 357, 215 (BASE)" "008/009/010/011/003/" "ヒト糞便(010) 正常者 TRACE ( <0.1μMOL/DAY ) 大腸ガン患者 TRACE - 11.2μMOL/DAY" "010/" "BA0534" 5.00 "3α-HYDROXY-5β-CHOLAN-24-OIC ACID" "LITHOCHOLIC ACID" "LCA" "C24H40O3" 24.00 40.00 3.00 0.00 0.00 0.00 376 " \/\" " モH|" " /ェ/\ COOH" " オカスコ" " /\ォ\/ツ" " | | | H" " ユハ/レ/" " H OH H" "187-188゚C , 129-130゚C( Me ESTER )(001)" "[α]/D=+35゚ (001)" "0.00005mM(WATER SOLUBILITY IN PROTONATED FORM)(012)" "001/012/" "1H-NMR (CDCl3) (002), 18-CH3=0.66(s), 19-CH3=0.93(s), 21-CH3=0.93(d), 23-CH2=2.20, 3β-H=3.60 13C-NMR(CD3OD) (005), C1=35.6, C2=30.4, C3=71.8,C4=36.5, C5=42.5, C6=27.5, C7=26.7, C8=36.1, C9=40.6, C10=34.8, C11=21.1,C12=40.5, C13=43.0, C14=56.7, C" "Me-TMS 462, 447, 372, 357, 257, 215(BASE PEAK) (003)" "002/005/003/" "二次胆汁酸の一つで広く分布(腸内細菌によるケノデオキシコール酸の7α-脱水酸 化反応の代謝物) (013/014) 牛,ウサギ,サル,ブタ,GUINEA PIG,ヒト胆汁中 ヒト糞便中(015)" "013/014/015/" "BA0535" 5.00 "3β-HYDROXY-5β-CHOLAN-24-OIC ACID" "ISOLITHOCHOLIC ACID" "iso LCA" "C24H40O3" 24.00 40.00 3.00 0.00 0.00 0.00 376 " \/\" " モH|" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " ユハ/レ/" " OH H H" "177゚C(016)" "[α]/D=+20゚ (016)" "0.00079mM(WATER SOLUBILITY IN PROTONATED FORM)(012)" "016/012/" "13C-NMR (CDCl3) 24-COOMe (060) C1=29.8, C2=27.8, C3=66.7, C4=33.4, C5=36.3, C6=26.5, C7=26.1, C8=35.5, C9=39.6, C10=34.9, C11=20.9, C12=40.2, C13=42.6, C14=56.4, C15=24.0,C16=28.0, C17=55.8, C18=11.9, C19=23.7, C20=35.2, C21=18.1, C22=30.8, C" "Me-TMS 462, 447, 405, 372(BASE PEAK), 357, 257, 230, 215 (003)" "060/003/" "ウサギ糞便(017),ヒト糞便(018/019)" "017/018/019/" "BA0536" 5.00 "3α-HYDROXY-5α-CHOLAN-24-OIC ACID" "C24H40O3" 24.00 40.00 3.00 0.00 0.00 0.00 376 " \/\" " モH|" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " ユハ/ハ/" " H OH H" "204-208゚C, 160-161゚C (Me ESTER)(020)" "[α]26/D=+26.0゚ (DIOXANE)(020)" "020/" "13C-NMR (CDCl3) Me ESTER (007) C1=32.1, C2=28.9, C3=66.3, C4=35.8, C5=39.0, C6=28.5, C7=31.9, C8=35.4, C9=54.2, C10=35.9, C11=20.7, C12=39.9, C13=42.5, C14=56.4, C15=24.0,C16=28.0, C17=55.8, C18=12.0, C19=11.1, C20=35.2, C21=18.2, C22=30.9," "Me-TMS (021), 462, 372, 357, 230, 215" "117/021/" "ヒト尿(021),ヒト糞便(019),ラット糞便(019)" "021/019/" "BA0537" 5.00 "7α-HYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O3" 24.00 40.00 3.00 0.00 0.00 0.00 376 " \/\" " モH|" " /ェ/\ COOH" " | カスコ" " /ェ/\/ナ" " | | | H" " \/レ/ラ" " H H OH" "96-98゚C, 78-79゚C (Me ESTER)(022)" "[α]22/D=+7゚ (CHCl3)(022)" "0.00020mM(WATER SOLUBILITY IN PROTONATED FORM)(012)" "022/012/" "1H-NMR (PRY-d5) Me ESTER (023), 18-CH3=0.65(s), 19-CH3=0.91(s), 7β-H=3.86 (bmr), CO2Me=3.68(S) 13C-NMR (CDCl3) Me ESTER (060), C1=37.4, C2=21.1, C3=27.5, C4=30.2, C5=43.0, C6=35.5, C7=68.1, C8=39.2, C9=32.6, C10=35.0, C11=20.3, C12=39.4, C13=42.3, C14=" "Me-TMS (003), 462, 447, 372(BASE PEAK), 357, 257, 215" "023/060/003/" "BA0538" 5.00 "7β-HYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O3" 24.00 40.00 3.00 0.00 0.00 0.00 376 " \/\ (REF:024)" " モH|" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " \/レ/ラ" " H OH H" "024/" "131-133.5゚C, 89-90.5゚C (Me ESTER)(024)" "[α]/D=+56゚(024)" "024/" "(KBr, cm-1) 1695(C=0), 3401, 1015(OH), 990 (024)" "1H-NMR(CDCl3) (024), 18-CH3=0.68(s), 19-CH3=0.93(s), 7α-H=3.58(brm)13C-NMR(CDCl3) Me ESTER (060), C1=37.4, C2=21.0, C3=26.7, C4=28.4, C5=44.0,C6=37.1, C7=71.2, C8=43.6, C9=39.1, C10=34.7, C11=20.9, C12=40.1, C13=43.6,C14=55.7, C15=26.9, C16=27.9," "Me-TMS (003), 462, 447, 372, 357, 257, 215, 73(BASE PEAK)" "024/060/003/" "ヒト糞便(004)" "004/" "BA0539" 5.00 "12α-HYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O3" 24.00 40.00 3.00 0.00 0.00 0.00 376 " H OH\/\" " メト モH|" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " \/レ/" " H" "90.5゚C, 120-121゚C (Me ESTER)(025)" "[α]12/D=+43.5゚ (ACETONE)(025)" "025/" "1H-NMR (PYR-d5) (023), 18-CH3=0.71(s), 19-CH3=0.92(s), 12β-H=4.15(brm), COOCH3=3.62(s) 13C-NMR(CDCl3) Me ESTER (060), C1=37.2, C2=21.0, C3=26.7, C4=27.2, C5=43.5, C6=26.9, C7=26.0, C8=35.8, C9=33.4, C10=34.6, C11=28.5,C12=72.8, C13=46.2, C14=48.0, C" "Me-TMS (003), 447, 372, 357, 257(BASE PEAK), 229, 215(弱い)" "023/060/003/" "BA0540" 5.00 "12β-HYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O3" 24.00 40.00 3.00 0.00 0.00 0.00 376 " OH H\/\" " メト モH|" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " \/レ/" " H" "110-116゚C(025)" "[α]12/D=+37.9゚ (ACETONE)(025)" "025/" "13C-NMR(CDCl3) Me ESTER (060), C1=37.2, C2=21.0, C3=26.8, C4=27.2, C5=43.1,C6=26.9, C7=25.9, C8=34.4, C9=39.1, C10=35.0, C11=29.3, C12=79.1, C13=47.6,C14=54.4, C15=23.4, C16=23.8, C17=57.2, C18=7.7, C19=23.8, C20=32.4, C21=20.7, C22=31.9, C23=30.9, C24=1" "060/" "BA0541" 5.00 "3β-HYDROXY-CHOL-5-EN-24-OIC ACID" "C24H38O3" 24.00 38.00 3.00 0.00 0.00 0.00 374 " \/\" " モH|" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " ユハ/ク/" " HO H" "235-236゚C, 145-146゚C (Me ESTER)(026)" "026/" "1H-NMR(CDCl3) (027), 18-CH3=0.69(S), 19-CH3=1.00(S), COOMe=3.63(S), 3β-OH =1.82" "Me-TMS (003), 460, 445, 404, 370, 355, 331(BASE PEAK), 255, 129" "027/003/" "肝胆道疾患患者の尿中(021/028)" "021/028/" "BA0542" 5.00 "3-OXO-5β-CHOLAN-24-OIC ACID" "C24H38O3" 24.00 38.00 3.00 0.00 0.00 0.00 374 " \/\" " モH|" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " キ\/レ/" " O H" "138-139゚,116-118゚(Me ESTER),147-148゚C(OXIME) (029)" "[α]28/D=+32.3゚ (029)" "029/" "13C-NMR(CDCl3) Me ESTER (030), C1=37.1, C2=36.9, C3=212.9, C4=42.3, C5=44.3, C6=25.7, C7=26.6, C8=35.6, C9=40.9, C10=34.9, C11=21.1, C12=40.1, C13=42.8, C14=56.5, C15=24.1, C16=28.1, C17=56.0, C18=12.0, C19=22.6, C20=35.2, C21=18.2, C22=31.0, C23=" "Me ESTER (003), 388, 373, 356, 273(BASE PEAK), 255, 231, 213" "030/003/" "ヒト糞便(015/018)" "015/018/" "BA0543" 5.00 "3α,6α-DIHYDROXY-5β-CHOLAN-24-OIC ACID" "HYODEOXYCHOLIC ACID" "HDCA" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " \/\" " モH|" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " ユハ/レ/" " H OH H ラ" " H OH" "198-201゚C, 120゚C (Me ESTER)(031)" "[α]22/D=+7゚ (METHANOL)(031)" "0.015mM(WATER SOLUBILITY IN PROTONATED FORM)(012)" "031/012/" "cm-1 1739(C=0) 3425, 3226, 1155, 1033, 1007, 953, 794 (OH) (031)" "13C-NMR (CD2Cl2) Me ESTER (005) C1=36.3, C2=29.7, C3=71.8, C4=35.3, C5=48.8, C6=68.1, C7=30.6, C8=35.3, C9=40.2, C10=36.1, C11=21.0, C12=40.2, C13=43.1, C14=56.3, C15=24.5, C16=28.4, C17=56.3, C18=12.1, C19=23.6, C20=35.8, C21=18.3, C22=31.3," "Me-TMS (003), 550, 460, 370(BASE PEAK), 355, 255, 213" "031/005/003/" "ブタ胆汁の主成分(032)ラット血漿(033),肝臓(033),胆汁(034),糞便(035)にも存在 ヒト肝胆道疾患患者の尿(021/036/037/038)" "032/033/034/035/021/036/037/038/" "BA0544" 5.00 "3α,6β-DIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " \/\" " モH|" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " ユハ/レ/" " H OH H ラ" " OH H" "209-210゚C(039), 214-215゚C,114-115゚C(Me ESTER)(040)" "[α]26/D=+37゚ (039)" "039/040/" "cm-1 1715(C=0), 3410, 3300(OH), 1050, 1028 (040)" "1H-NMR(CDCl3+30%DMSO-d6), 18-CH3=0.68(s), 21-CH3=0.93(d,J=5.4Hz), 19-CH3=1.11(s), 3β-H=3.57(brm),6α-H=3.74(m) 13C-NMR(CDCl3) Me ESTER, C1=35.8, C2=30.1,C3=71.2,C4=36.5,C5=48.6,C6=73.1,C7=34.7,C8=30.7,C9=40.7,C10=34.3,C11=20.6,C12=40.0,C13=42.7,C14=" "Me-TMS , 550, 535, 460, 405(BASE PEAK), 370, 355, 255, 213 (003)" "040/003/" "ブタ胆のう胆汁中にTRACE (041),肝胆道疾患患者の尿(037/042)および血漿(043)" "041/037/042/043/" "BA0545" 5.00 "3β,6α-DIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " \/\" " モH|" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " ユハ/レ/" " HO H H ラ" " H OH" "191-192゚C (044), 198-199, 74-75゚C (Me ESTER) (040)" "044/040/" "cm-1 1702(C=0), 3398(OH), 1040 (040)" "1H-NMR (CDCl3+30%DMSO-d6) 18-CH3=0.65(s), 21-CH3=0.92(d,J=5.4Hz), 19-CH3= 0.93(s), 6β-H=3.99(brm), 3α-H=4.09(m) 13C-NMR(CDCl3) Me ESTER, C1=30.0, C2=27.5,C3=66.0,C4=26.3,C5=43.0,C6=67.8,C7=34.6,C8=34.6,C9=39.1,C10=36.4,C11=20.6,C12=40.0,C13=42.7,C14=" "Me-TMS 550, 535, 460, 445, 405, 370(BASE PEAK), 255, 213 (003)" "040/003/" "ブタ胆汁(045),ブタ胆石(046)" "045/046/" "BA0546" 5.00 "3β,6β-DIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " \/\" " モH|" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " ユハ/レ/" " HO H H ラ" " OH H" "250゚(047),258゚(048),260-261,124-125゚(Me EST.)(040)" "[α]20/D=+21゚ (048)" "047/048/040/" "cm-1 1710(C=0), 3440, 3400, 1448, 1038, 1018(OH) (040)" "1H-NMR(CDCl3+30%DMSO-d6) 18-CH3=0.68(s), 21-CH3=0.92(d,J=5.4Hz), 19-CH3= 1.13(s), 6α-H=3.64(m), 3α-H=4.02(m) 13C-NMR(CDCl3) Me ESTER, C1=30.2,C2=27.5,C3=66.1,C4=33.7,C5=43.6,C6=73.2,C7=34.5,C8=30.6,C9=40.1,C10=34.8,C11=C11=20.6,C12=40.0,C13=42.7,C14" "040/" "BA0547" 5.00 "3α,7α-DIHYDROXY-5β-CHOLAN-24-OIC ACID" "CHENODEOXYCHOLIC ACID" "CDCA" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " \/\" " モH|" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " ユハ/レ/ラ" " H OH H H OH" "145-146゚C(049)" "[α]20/D=+10.7 (DIOXANE)(049)" "0.027mM(WATER SOLUBILIRY IN PROTONATED FORM)(012)" "049/012/" "1H-NMR(CDCl3) (050), 18-CH3=0.64(s), 19-CH3=0.88(s), 21-CH3=0.94(d), 3β-H =3.38(brm), 7β-H=3.78(m) 13C-NMR(CD3OD) (005), C1=35.8, C2=31.0,C3=71.4, C4=39.7, C5=42.1, C6=35.4, C7=67.8, C8=39.9, C9=33.3, C10=35.5, C11=21.1,C12=39.9, C13=43.0, C14=50.9, C" "Me-TMS 460, 445, 370(BASE PEAK), 355, 255, 213 (003)" "050/005/003/" "哺乳動物に広く分布,一次胆汁酸 (052),鳥類,哺乳類,最初ガチョウの胆汁中よ り見い出されてこの名がついた (051)" "052/051/" "胆石溶解剤" "BA0548" 5.00 "3α,7β-DIHYDROXY-5β-CHOLAN-24-OIC ACID" "URSODEOXYCHOLIC ACID" "UDCA" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " \/\" " モH|" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " ユハ/レ/ラ" " H OH H OH H" "201-202゚C(053)" "[α]25/D=+57゚(DIOXANE)(053)" "0.0009mM(WATER SOLUBILITY IN PROTONATED FORM)(012)" "053/012/" "1H-NMR (CDCl3;DMSO-d6) (050), 18-CH3=0.66(s), 19-CH3=0.95(s), 21-CH3=0.92 (d), 3β-H=3.45(brm), 7α-H=3.45(brm) 13C-NMR (CD3OD) (054), C1=36.1, C2= 30.9, C3=71.7, C4=38.4, C5=44.3, C6=37.9, C7=71.9, C8=43.9, C9=40.5, C10=35.0, C11=22.3, C12=41.4, C13=4" "Me-TMS 535, 460(BASE PEAK), 370, 355, 255, 213 (003)" "003/050/054/" "最初にクマ胆汁(055)から発見され,日本人により確認された(056) 哺乳動物の胆汁中にMINOR (057),ヒト糞便(018)" "055/056/057/018/" "胆石溶解剤(クマノイとして昔から服用)" "BA0549" 5.00 "3β,7α-DIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " \/\" " モH|" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " ユハ/レ/ラ" " HO H H H OH" "193゚C(058),193-195゚C,204-206゚C,156.5-158.5゚C (059)" "[α]23/D=+8.5゚ (ETHANOL)(058)" "058/059/" "cm-1 (KBr) 1715(C=0),1071, 1034, 1003, 982(COH) (059)" "1H-NMR (059) 18-CH3=0.67(s), 19-CH3=0.94(s), 7β-H=3.87(m), 3α-H=4.07(m) 13C-NMR(CDCl3) (060) Me ESTER, C1=29.8,C2=27.7,C3=66.7,C4=36.6,C5=35.9,C6= 35.5,C7=68.5,C8=39.3,C9=32.0,C10=34.2,C11=20.8,C12=39.6,C13=42.6,C14=50.4,C15=23.6,C16=28.0,C17=55.7,C18" "Me-TMS 460, 445, 370(BASE PEAK), 355, 255, 213 (003)" "059/060/003/" "ヒト糞便中(018),肝胆道疾患患者の尿,血漿中(021/036/043/061)" "018/021/036/043/061/" "BA0550" 5.00 "3β,7β-DIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " \/\ (REF:059)" " モH|" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " ユハ/レ/ラ" " HO H H OH H" "059/" "166-168.5゚C, 124-125゚C(Me ESTER)(059)" "059/" "cm-1 (KBr) 1709(C=0), 1031(3β-COH), 1016(7β-COH) (059)" "1H-NMR (059), 18-CH3=0.71(s), 19-CH3=1.00(s), 7α-H=3.65(brm), 3α-H=4.07 (m)13C-NMR(CDCl3)Me ESTER (060), C1=29.3,C2=27.2,C3=65.7,C4=34.1,C5=36.7,C6=36.5,C7=70.7,C8=43.0,C9=38.2,C10=34.1,C11=21.1,C12=39.8,C13=43.2,C14=55.6,C15=26.5,C16=28.2,C17=54.5," "Me-TMS 550, 535, 460, 445, 370(BASE PEAK), 355, 255 (003)" "059/060/003/" "BA0551" 5.00 "3α,12α-DIHYDROXY-5β-CHOLAN-24-OIC ACID" "DEOXYCHOLIC ACID" "DCA" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " H HO\/\" " メト モH|" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " ユハ/レ/" " H OH H" "168-169゚C(062),174-174.5゚C,70-108゚C(Me ESTER)(063)" "[α]26/D=+50.6゚ (DIOX.)(062)" "0.028mM(WATER SOLUBILITY IN PROTONATED FORM)(012)" "063/062/012/" "cm-1 (kBr) 1724(C=0) 3390, 1036(OH) (063)" "1H-NMR(CD3OD) (002), 18-CH3=0.70(s), 19-CH3=0.92(s), 21-CH3=1.00(d), 3β-H =3.50(brm), 12β-H=3.95(s), 23-CH2=2.20(m) 13C-NMR(CDCl3) Me ESTER (060), C1=35.1,C2=30.2,C3=71.4,C4=36.2,C5=42.0,C6=27.1,C7=26.0,C8=35.9,C9=33.3,C10=33.9,C11=28.5,C12=72.8,C13=4" "Me-TMS 550, 535, 370, 345, 255(BASE PEAK), 208 (003)" "063/002/060/003/" "ウシ胆中から最初に単離(CHOLEIC ACID)(064) 哺乳動物の胆汁,糞便中に存在(001) 二次胆汁酸でコール酸が腸内細菌で脱7α- 水酸化され生じる(065)" "064/001/065/" "CORTISONE やCORTICAL STEROID の合成の出発原料(001)" "001/" "BA0552" 5.00 "3α,12β-DIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " HO H\/\" " メト モH|" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " ユハ/レ/" " H OH H" "172.5-173.5゚C, AMORPH. (Me ESTER)(063)" "[α]/D=+37.8゚ (DIOXANE)(063)" "063/" "cm-1 (KBr) 1706(C=0)3546, 3390, 1036, 1015, 1000(OH) (063)" "13C-NMR(CDCl3) Me ESTER, C1=35.2, C2=30.3, C3=71.1, C4=35.9, C5=41.6, C6=26.9, C7=25.8, C8=34.4, C9=39.3, C10=34.2, C11=29.5, C12=79.1, C13=47.8,C14=54.8, C15=23.5, C16=24.0, C17=57.3, C18=7.8, C19=23.0, C20=32.5,C21=20.7, C22=32.0, C23=31.2, C24=17" "Me-TMS 535, 460, 370, 345, 255(BASE PEAK), 208 (003)" "063/060/003/" "ヒト糞便(004/018),肝胆道疾患患者の尿(021/037/066)" "004/018/021/027/066/" "BA0553" 5.00 "3β,12α-DIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " H HO\/\" " メト モH|" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " ユハ/レ/" " HO H H" "174.5-176゚C, 156.5-158゚C (Me ESTER)(063)" "[α]/D=+39.0 (063)" "063/" "cm-1 (KBr) 1730, 1709 (C=0) 3570, 3425, 1031 (OH) (063)" "13C-NMR(CDCl3) Me ESTER, C1=29.7, C2=27.6, C3=66.9, C4=33.3, C5=36.4, C6=26.5, C7=25.9, C8=35.7, C9=32.7, C10=34.5, C11=28.8, C12=73.0, ,C13=46.4, C14=48.3, C15=23.5, C16=27.4, C17=47.2, C18=12.6, C19=23.5,C20=35.0, C21=17.2, C22=31.0, C23=3" "Me-TMS 535, 460, 370, 345, 255(BASE PEAK), 215 (003)" "063/060/003/" "ウサギ,ヒトの糞便(018),ヒト糞便(015),肝胆道疾患患者の尿(037/042/043/066),血漿(043)" "018/015/037/042/043/066/" "BA0554" 5.00 "3β,12β-DIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " HO H\/\ (REF:063)" " メト モH|" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " ユハ/レ/" " HO H H" "063/" "204-206゚C, 116゚C(Me ESTER)(063)" "[α]/D=+27.0゚ (DIOXANE) (063)" "063/" "cm-1 1712(C=0)(KBr)3570, 3333, 1028, 1005(OH) (063)" "13C-NMR (CDCl3) Me ESTER (060) C1=29.5, C2=27.3, C3=66.1, C4=33.0, C5=35.7, C6=26.3, C7=25.5, C8=33.9, C9=38.3, C10=34.5, C11=29.1, C12=78.9, C13=47.5, C14=54.2, C15=23.3,C16=23.6, C17=57.0, C18=7.5, C19=23.3, C20=32.1, C21=20.5, C22=31.8," "Me-TMS (003), 550, 460, 345,255(BASE PEAK)" "063/060/003/" "ヒト糞便 (004/018)" "BA0555" 5.00 "7α,12α-DIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " H HO\/\ (REF:135)" " メト モH|" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " \/レ/ラ" " H H OH" "135/" "207-208゚C, 155-156゚C (Me ESTER)(135)" "[α]21/D=+18゚ (DIOXANE) (135)" "135/" "cm-1 (KBr) 1724(C=0) 3425, 1024, 984(OH) (024)" "1H-NMR(CDCl3) Me ESTER (024),18-Me=0.68(s),19-Me=0.89(s), 24-COOMe=3.63(s),7β-H=3.84(m), 12β-H=3.96(m) 13C-NMR(CDCl3) Me ESTER (060), C1=37.5,C2= 21.2,C3=27.7,C4=30.4,C5=43.1,C6=35.4,C7=68.7,C8=39.5,C9=26.3,C10=35.6,C11=28.1,C12=73.1,C13=46.5,C14=41." "Me-TMS 535, 370, 355, 255(BASE PEAK), 228 (003)" "024/060/003/" "BA0556" 5.00 "7α,12β-DIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " HO H\/\ (REF:024)" " メト モH|" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " \/レ/ラ" " H H OH" "024/" "150-152.5゚C, 129.5-131゚C (Me ESTER)(024)" "024/" "cm-1 (KBr) 1701(C=0) 3448, 1018, 1005, 992(OH) (024)" "1H-NMR(CDCl3+10%Me2SO-d6) (024), 18-CH3=0.72(s), 19-CH3=0.91(s), 12α-H= 3.51(brm),7β-H=3.82(m) 13C-NMR(CDCl3) Me ESTER (060), C1=37.4,C2=21.2,C3=27.5,C4=30.2,C5=42.7,C6=35.1,C7=68.0,C8=37.9,C9=31.9,C10=35.6,C11=29.2,C12=78.8,C13=47.4,C14=48.4,C15=22" "Me-Oac 430(2.6), 370(63.4), 255(100.0) (RELATIVE INTENSITY) Me-DMES 578(0.6), 563(2.9), 549(100.0), 370(14.9), 255(26.7)(067)" "024/060/067/" "BA0557" 5.00 "7β,12α-DIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " H HO\/\ (REF:024)" " メト モH|" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " \/レ/ラ" " H OH H" "024/" "174.5-176゚C, 131-132゚C(Me ESTER)(024)" "024/" "cm-1 (KBr) 1689(C=0) 3356, 1026, 1015, 943(OH) (024)" "1H-NMR(CDCl3+10%Me2SO-d6)(024),18-CH3=0.67(s),19-CH3=0.90(s), 7α-H=3.49 (brm), 12β-H=3.88(m), 13C-NMR(CDCl3) Me ESTER (060), C1=37.2,C2=20.7,C3=26.8,C4=27.8,C5=43.9,C6=36.8,C7=71.1,C8=43.7,C9=31.9,C10=34.1,C11=28.7,C12=72.2,C13=47.1,C14=47.2,C15=26.2" "Me-Oac 430(0.6), 370(70.3), 255(100.0) (RELATIVE INTENSITY) Me-DMES 578(0.2), 563(4.0), 549(100.0), 370(34.7), 255(56.4)(067)" "024/060/067/" "BA0558" 5.00 "7β,12β-DIHYDROXY-5β-CHOLAN-24-OIC ACID" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " HO H\/\ (REF:024)" " メト モH|" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " \/レ/ラ" " H OH H" "024/" "179-182゚C, 131-132゚C (Me ESTER)(024)" "024/" "cm-1 (KBr) 1642(C=0) 3413, 1026, 1015, 956(OH) (024)" "1H-NMR(CDCl3+10%Me2SO-d6) (024), 18-CH3=0.72(s), 19-CH3=0.93(s), 7α-,12α-H=3.41(brm) 13C-NMR(CDCl3) Me ESTER (060), C1=37.5,C2=21.1,C3=26.9,C4= 28.0,C5=43.8,C6=37.1,C7=71.2,C8=42.3,C9=37.8,C10=34.7,C11=29.0,C12=79.4,C13=48.6,C14=53.9,C15=26.2,C16=2" "Me-Oac 430(0.8), 370(100.0), 255(99.3) (RELATIVE INTENSITY) Me-DMES 578(0.2), 563(3.6), 549(100.0), 370(19.8), 255(17.8) (067)" "024/060/067/" "BA0559" 5.00 "3α,7α-DIHYDROXY-5α-CHOLAN-24-OIC ACID" "ALLO-CHENODEOXYCHOLIC ACID" "allo-CDCA" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " \/\" " モH|" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " ユハ/ハ/ラ" " H OH H H OH" "245-246゚C(068/069), 126.5-127.5゚C(Me ESTER) (069)" "068/069" "cm-1 1700(C=0) 3400, 1027, 1000(OH)(069)" "1H-NMR(CDCl3+20%DMSO-d6) (069), 18-CH3=0.64(s), 19-CH3=0.75(s), 21-CH3=0.91(d,J=5.4Hz), 7β-H=3.72(m), 3β-H=3.95(m) 13C-NMR(CDCl3) Me ESTER (007) C1=32.2,C2=29.1,C3=66.4,C4=35.9,C5=31.8,C6=36.6,C7=68.0,C8=39.8,C9=46.2,C10=36.4,C11=20.7,C12=39.9,C13=4" "Me ESTER 406(M+), 388(BASE PEAK), 373, 370, 355, 273, 264, 249(069)" "069/007/" "肝胆道疾患患者の尿(021/037/066),血漿(043)" "021/037/066/043/" "BA0560" 5.00 "3α,12α-DIHYDROXY-5α-CHOLAN-24-OIC ACID" "ALLO-DEOXYCHOLIC ACID" "allo DCA" "C24H40O4" 24.00 40.00 4.00 0.00 0.00 0.00 392 " H HO\/\" " メト モH|" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " ユハ/ハ/" " H OH H" "214-215゚C, 173-174゚C (Me ESTER)(017)" "[α]/D=+42゚ (017)" "017/" "cm-1 1690(C=0) 3350, 1060, 1013, 1003, 975, 955(OH) (070)" "1H-NMR(CDCl3+20%Me2SO-d6) (070), 18-CH3=0.68(s), 19-CH3=0.77(s), 21-CH3= 1.00(d,J=5.4Hz), 3β-,12β-H=3.95(m) 13C-NMR(CDCl3) Me ESTER (007), C1= 1.9,C2=28.7,C3=66.1,C4=35.7,C5=38.7,C6=28.3,C7=31.4,C8=35.4,C9=46.9,C10=35.4,C11=28.3,C12=72.8,C13=46.2,C" "Me-TMS 535, 460, 370, 345, 255(BASE PEAK), 208 (003)" "070/007/003/" "ウサギ糞便(017),肝胆道疾患患者の尿(021/037/066),血漿(043)" "017/021/037/066/043/" "BA0561" 5.00 "3β,7α-DIHYDROXY-CHOL-5-EN-24-OIC ACID" "C24H38O4" 24.00 38.00 4.00 0.00 0.00 0.00 390 " \/\ (REF:071)" " モH|" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " ユハ/ク/ラ" " OH H H OH" "071/" "206-210゚C, 161-163゚C(Me ESTER)(071)" "[α]20/D=-87.4゚ (DIOXANE) (071)" "071/" "1H-NMR(CDCl3) Me ESTER (027), 18-CH3=0.68(s), 19-CH3=0.98(s), 24-COOCH3= 3.67(s), 6-H=5.59(d,J=6Hz)" "Me-TMS 548, 458(BASE PEAK), 353, 253, 233 (003)" "027/003/" "ヒト胆汁(072)" "072/" "ケノデオキシコール酸生合成の別経路の KEY INTERMEDIATE (073/074)" "073/074/" "ALLYL ALCOHOLであり,酸,熱に不安定(027)" "027/" "BA0562" 5.00 "3β,12α-DIHYDROXY-CHOL-5-EN-24-OIC ACID" "C24H38O4" 24.00 38.00 4.00 0.00 0.00 0.00 390 " H HO\/\" " メト モH|" " /ェ/\ COOH" " オ | コ" " /\ォ\ヒシ" " | | | H" " ユハ/ク/" " OH H" "253-254゚C(075)" "075/" "cm-1 (NUJOL) 1700(CO) 3435, 3300(OH) (075)" "1H-NMR (CD3OD) (075), 18-CH3=0.82(s), 19-CH3=0.99(s), 3α-H=3.20-3.66(m), 12β-H=3.99(t,J=3Hz), 6-H=5.30(d,J=4Hz) (075)" "Me-TMS (RELATIVE INTENSITY) 458(13), 368(23), 253(100) (075)" "075/" "肝胆道疾患患者の尿(021/037/066/136)および血漿(043/076/136)" "021/037/066/136/043/076/"