| Bile acid |
| LIPID_ID | BA0544 |
| CHEM_NA | 3¦Á,6¦Â-DIHYDROXY-5¦Â-CHOLAN-24-OIC ACID |
| COMMON_NA |
| MOL_FORMULA | C24H40O4 |
| MOL_WT | 392 |
| MELT_PT | 209-210¡¬C(039), 214-215¡¬C,114-115¡¬C(Me |
| ESTER)(040) |
| BOIL_PT |
| OPT_ROT | [¦Á]26/D=+37¡¬ (039) |
| REFRA_IND |
| DENSITY |
| SOLUBILITY |
| UV_SPEC |
| IR_SPEC | cm-1 1715(C=0), 3410, 3300(OH), 1050, 1028 (040) |
| NMR_SPEC | 1H-NMR(CDCl3+30%DMSO-d6), 18-CH3=0.68(s), |
| 21-CH3=0.93(d,J=5.4Hz), 19-CH3=1.11(s), |
| 3¦Â-H=3.57(brm),6¦Á-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= |
| MS_SPEC | Me-TMS , 550, 535, 460, 405(BASE PEAK), 370, 355, |
| 255, 213 (003) |
| NOTE_SPEC |
| SOURCE | ¥Ö¥¿ÃÀ¤Î¤¦ÃÀ½ÁÃæ¤ËTRACE |
| (041)¡¤´ÎÃÀÆ»¼À´µ´µ¼Ô¤ÎÇ¢(037/042)¤ª¤è¤Ó·ìÞù(043) |
| BIOL_ACTIV |
| NOTE |
| 1998ǯ10·î26Æü | 573 / 591 ¥Ú¡¼¥¸ |