| Bile acid |
| LIPID_ID | BA0103 |
| CHEM_NA | 3¦Á,6¦Á,7¦Â-TRIHYDROXY-5¦Á-CHOLAN-24-OIC |
| ACID |
| COMMON_NA | ALLO ¦Ø-MURICHOLIC ACID |
| MOL_FORMULA | C24H40O5 |
| MOL_WT | 408 |
| MELT_PT | 242-244¡¬C(from EtOAc),192-193¡¬C(Me ESTER)(172) |
| BOIL_PT |
| OPT_ROT |
| REFRA_IND |
| DENSITY |
| SOLUBILITY |
| UV_SPEC |
| IR_SPEC | 1685cm-1(C=O), 3481,1007cm-1(OH)(172) |
| NMR_SPEC | 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,6¦Â- |
| and 7¦Á-H), |
| 4.00(m,3¦Â-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 |
| MS_SPEC | Me ESTER M/Z(RELATIVE INTENSITY) |
| 404(54%,M-H2O), 386(100%,M-2H2O), |
| 368(48%,M-3H2O), 289(34%), 271(49%), 262(21%), |
| NOTE_SPEC |
| SOURCE |
| BIOL_ACTIV |
| NOTE |
| 1998ǯ10·î26Æü | 103 / 591 ¥Ú¡¼¥¸ |