| Bile acid |
| LIPID_ID | BA0031 |
| CHEM_NA | 3α,6α,7α,12α-TETRAHYDROXY-5β-CHOLAN-2 |
| 4-OIC ACID |
| COMMON_NA |
| MOL_FORMULA | C24H40O6 |
| MOL_WT | 424 |
| MELT_PT | 161-163゜C(WITH PREVIOUS SOFTENING AT |
| 121-124゜C)(133) |
| BOIL_PT |
| OPT_ROT | [α]26/D=+23.3゜ (133) |
| REFRA_IND |
| DENSITY |
| SOLUBILITY |
| UV_SPEC |
| IR_SPEC |
| NMR_SPEC | 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,C |
| 6=70.7,C7=72.8,C8=40.3,C9=27.7,C10=36.7,C11=29.7 |
| MS_SPEC | Me-TMS 711, 636, 621, 546(BASE PEAK), 531, 456, |
| 367(CA-6α-OL), 353, 351 (003) |
| NOTE_SPEC |
| SOURCE | 胆汁うっ滞症患者尿(021/037/066/129)，新生児尿(13 |
| 2/133/136)，胎便(130/133) |
| BIOL_ACTIV |
| NOTE | 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) |
| 1998年10月26日 | 31 / 591 ページ |