| Bile acid |
| LIPID_ID | BA0105 |
| CHEM_NA | 3¦Á,6¦Â,7¦Â,12¦Á-TETRAHYDROXY-5¦Á-CHOLAN-2 |
| 4-OIC ACID |
| COMMON_NA |
| MOL_FORMULA | C24H40O6 |
| MOL_WT | 424 |
| MELT_PT | 235-237¡¬C(FROM EtOAc/HEXANE),151-152¡¬C(Me |
| ESTER)(172) |
| BOIL_PT |
| OPT_ROT |
| REFRA_IND |
| DENSITY |
| SOLUBILITY |
| UV_SPEC |
| IR_SPEC | 1698cm-1(C=O), 3525,1033,1014cm-1(OH)(172) |
| NMR_SPEC | 1H-NMR(CDCl3+20% |
| DMSO-d6)0.69(s,18-Me),0.93(s,19-Me),0.99(d,J=6.3H |
| z,21-Me), |
| 3.25(brm,7¦Á-H),3.51(m,6¦Á-H),3.92(m,12¦Â-H),4.06( |
| m,3¦Â-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, |
| MS_SPEC | Me ESTER M/Z(RELATIVE INTENSITY) |
| 420(2%,M-H2O), 402(16%,M-2H2O), |
| 384(10%,M-3H2O), 305(100%), 287(57%), 269(91%), |
| NOTE_SPEC |
| SOURCE |
| BIOL_ACTIV |
| NOTE |
| 1998ǯ10·î26Æü | 105 / 591 ¥Ú¡¼¥¸ |