Cortisol sulfate sodium
HIT218852390
sdf文件结构编辑类似物检索
HIT ID: HIT218852390
Cas No: 1852-36-4
分子式: C21H29NaO8S
分子量: 464.5
常用名: Cortisol sulfate sodium
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: sodium (1R,3aS,3bS,9aR,9bS,10S,11aS)-1,10-dihydroxy-9a,11a-dimethyl-1-[2-(sulfonatooxy)acetyl]-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
IUPAC: sodium (1R,3aS,3bS,9aR,9bS,10S,11aS)-1,10-dihydroxy-9a,11a-dimethyl-1-[2-(sulfonatooxy)acetyl]-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
SMILES: [Na+].[H][C@@]12CC[C@](O)(C(=O)COS([O-])(=O)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
SMILES: [Na+].[H][C@@]12CC[C@](O)(C(=O)COS([O-])(=O)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
InChI key: DJKQHUMDQFOLHE-WDCKKOMHSA-M
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