| Bile acid |
| LIPID_ID | BA0104 |
| CHEM_NA | 3¦Á,6¦Â,7¦Â-TRIHYDROXY-5¦Á-CHOLAN-24-OIC |
| ACID |
| COMMON_NA | ALLO ¦Â-MURICHOLIC ACID |
| MOL_FORMULA | C24H40O5 |
| MOL_WT | 408 |
| MELT_PT | 242-245¡¬C(from aq¡¦EeOH),130-132¡¬C(Me |
| ESTER)(172) |
| BOIL_PT |
| OPT_ROT |
| REFRA_IND |
| DENSITY |
| SOLUBILITY |
| UV_SPEC |
| IR_SPEC | 1710cm-1(C=O), 3412,1035,1009cm-1(OH)(172) |
| NMR_SPEC | 1H-NMR(CDCl3+20% DMSO-d6) 0.69(s,18-Me), |
| 0.96(s,19-Me), 3.26(brm, 7¦Á-H), |
| 3.54(m,6¦Á-H),4.08(m,3¦Â-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, |
| MS_SPEC | Me ESTER M/Z(RELATIVE INTENSITY) |
| 404(100%,M-H2O), 386(83%,M-2H2O), |
| 368(38%,M-3H2O), 289(22%), 271(45%), 262(71%), |
| NOTE_SPEC |
| SOURCE |
| BIOL_ACTIV |
| NOTE |
| 1998ǯ10·î26Æü | 104 / 591 ¥Ú¡¼¥¸ |