HIT ID: HIT218832851

Cas No:

分子式: C30H48O10

分子量: 568.704

常用名: 6-[(4-{4,7-dihydroxy-9a,11a-dimethyl-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanoyl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid, Chenodeoxycholic Acid 24-Acyl-β-D-Glucuronide

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: 6-[(4-{4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanoyl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

SMILES: CC(CCC(=O)OC1OC(C(O)C(O)C1O)C(O)=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C

InChI key: ZTJBLIAPAIPNJE-UHFFFAOYSA-N