| Bile acid |
| LIPID_ID | BA0559 |
| CHEM_NA | 3¦Á,7¦Á-DIHYDROXY-5¦Á-CHOLAN-24-OIC ACID |
| COMMON_NA | ALLO-CHENODEOXYCHOLIC ACID |
| MOL_FORMULA | C24H40O4 |
| MOL_WT | 392 |
| MELT_PT | 245-246¡¬C(068/069), 126.5-127.5¡¬C(Me ESTER) |
| (069) |
| BOIL_PT |
| OPT_ROT |
| REFRA_IND |
| DENSITY |
| SOLUBILITY |
| UV_SPEC |
| IR_SPEC | cm-1 1700(C=0) 3400, 1027, 1000(OH)(069) |
| NMR_SPEC | 1H-NMR(CDCl3+20%DMSO-d6) (069), |
| 18-CH3=0.64(s), 19-CH3=0.75(s), |
| 21-CH3=0.91(d,J=5.4Hz), 7¦Â-H=3.72(m), |
| 3¦Â-H=3.95(m) 13C-NMR(CDCl3) Me ESTER (007) |
| C1=32.2,C2=29.1,C3=66.4,C4=35.9,C5=31.8,C6=36.6, |
| C7=68.0,C8=39.8,C9=46.2,C10=36.4,C11=20.7,C12=3 |
| 9.9,C13=4 |
| MS_SPEC | Me ESTER 406(M+), 388(BASE PEAK), 373, 370, 355, |
| 273, 264, 249(069) |
| NOTE_SPEC |
| SOURCE | ´ÎÃÀÆ»¼À´µ´µ¼Ô¤ÎÇ¢(021/037/066)¡¤·ìÞù(043) |
| BIOL_ACTIV |
| NOTE |
| 1998ǯ10·î26Æü | 588 / 591 ¥Ú¡¼¥¸ |