Hydrocortisone Valerate
HIT212650018
sdf文件结构编辑类似物检索
HIT ID: HIT212650018
Cas No: 57524-89-7
分子式: C26H38O6
分子量: 446.584
常用名: Hydrocortisone Valerate
氢键受体数 (HBA): 5
氢键供体数 (HBD): 2
LogP: 3.305965
IUPAC: (1R,3aS,3bS,9aR,9bS,10S,11aS)-10-hydroxy-1-(2-hydroxyacetyl)-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl pentanoate
IUPAC: (1R,3aS,3bS,9aR,9bS,10S,11aS)-10-hydroxy-1-(2-hydroxyacetyl)-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl pentanoate
SMILES: CCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)CO |t:14|
SMILES: CCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)CO |t:14|
InChI key: FZCHYNWYXKICIO-FZNHGJLXSA-N
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