HIT ID: HIT212650067
Cas No: 145-41-5
分子式: C24H33NaO5
分子量: 424.513
常用名: Dehydrocholate sodium
氢键受体数 (HBA): 5
氢键供体数 (HBD): 0
LogP: 3.6390371
IUPAC: sodium 4-{9a,11a-dimethyl-4,7,11-trioxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanoate
IUPAC: sodium 4-{9a,11a-dimethyl-4,7,11-trioxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanoate
SMILES: [Na+].CC(CCC([O-])=O)C1CCC2C3C(CC(=O)C12C)C1(C)CCC(=O)CC1CC3=O
SMILES: [Na+].CC(CCC([O-])=O)C1CCC2C3C(CC(=O)C12C)C1(C)CCC(=O)CC1CC3=O
InChI key: FKJIJBSJQSMPTI-UHFFFAOYSA-M
