| Bile acid |
| LIPID_ID | BA0560 |
| CHEM_NA | 3¦Á,12¦Á-DIHYDROXY-5¦Á-CHOLAN-24-OIC ACID |
| COMMON_NA | ALLO-DEOXYCHOLIC ACID |
| MOL_FORMULA | C24H40O4 |
| MOL_WT | 392 |
| MELT_PT | 214-215¡¬C, 173-174¡¬C (Me ESTER)(017) |
| BOIL_PT |
| OPT_ROT | [¦Á]/D=+42¡¬ (017) |
| REFRA_IND |
| DENSITY |
| SOLUBILITY |
| UV_SPEC |
| IR_SPEC | cm-1 1690(C=0) 3350, 1060, 1013, 1003, 975, |
| 955(OH) (070) |
| NMR_SPEC | 1H-NMR(CDCl3+20%Me2SO-d6) (070), |
| 18-CH3=0.68(s), 19-CH3=0.77(s), 21-CH3= |
| 1.00(d,J=5.4Hz), 3¦Â-,12¦Â-H=3.95(m) |
| 13C-NMR(CDCl3) Me ESTER (007), C1= |
| 1.9,C2=28.7,C3=66.1,C4=35.7,C5=38.7,C6=28.3,C7=3 |
| 1.4,C8=35.4,C9=46.9,C10=35.4,C11=28.3,C12=72.8,C |
| 13=46.2,C |
| MS_SPEC | Me-TMS 535, 460, 370, 345, 255(BASE PEAK), 208 |
| (003) |
| NOTE_SPEC |
| SOURCE | ¥¦¥µ¥®ÊµÊØ(017)¡¤´ÎÃÀÆ»¼À´µ´µ¼Ô¤ÎÇ¢(021/037/066 |
| )¡¤·ìÞù(043) |
| BIOL_ACTIV |
| NOTE |
| 1998ǯ10·î26Æü | 589 / 591 ¥Ú¡¼¥¸ |