Canrenoate potassium
HIT213839785
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HIT ID: HIT213839785
Cas No: 2181-04-6
分子式: C22H29KO4
分子量: 396.568
常用名: Canrenoate potassium
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: potassium 3-[(1R,3aS,3bR,9aR,9bS,11aS)-1-hydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]propanoate
IUPAC: potassium 3-[(1R,3aS,3bR,9aR,9bS,11aS)-1-hydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]propanoate
SMILES: [K+].C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]2(O)CCC([O-])=O |c:6,t:8|
SMILES: [K+].C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]2(O)CCC([O-])=O |c:6,t:8|
InChI key: JTZQCHFUGHIPDF-RYVBEKKQSA-M
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