| Bile acid |
| LIPID_ID | BA0535 |
| CHEM_NA | 3¦Â-HYDROXY-5¦Â-CHOLAN-24-OIC ACID |
| COMMON_NA | ISOLITHOCHOLIC ACID |
| MOL_FORMULA | C24H40O3 |
| MOL_WT | 376 |
| MELT_PT | 177¡¬C(016) |
| BOIL_PT |
| OPT_ROT | [¦Á]/D=+20¡¬ (016) |
| REFRA_IND |
| DENSITY |
| SOLUBILITY | 0.00079mM(WATER SOLUBILITY IN PROTONATED |
| FORM)(012) |
| UV_SPEC |
| IR_SPEC |
| NMR_SPEC | 13C-NMR (CDCl3) 24-COOMe (060) C1=29.8, |
| C2=27.8, C3=66.7, C4=33.4, C5=36.3, C6=26.5, |
| C7=26.1, C8=35.5, C9=39.6, C10=34.9, C11=20.9, |
| C12=40.2, C13=42.6, C14=56.4, C15=24.0,C16=28.0, |
| C17=55.8, C18=11.9, C19=23.7, C20=35.2, C21=18.1, |
| C22=30.8, C |
| MS_SPEC | Me-TMS 462, 447, 405, 372(BASE PEAK), 357, 257, |
| 230, 215 (003) |
| NOTE_SPEC |
| SOURCE | ¥¦¥µ¥®ÊµÊØ(017)¡¤¥Ò¥ÈʵÊØ(018/019) |
| BIOL_ACTIV |
| NOTE |
| 1998ǯ10·î26Æü | 564 / 591 ¥Ú¡¼¥¸ |