Prednisolone valerate acetate
HIT212687618
sdf文件结构编辑类似物检索
HIT ID: HIT212687618
Cas No: 72064-79-0
分子式: C28H38O7
分子量: 486.605
常用名: Prednisolone valerate acetate
氢键受体数 (HBA): 5
氢键供体数 (HBD): 1
LogP: 3.7449138
IUPAC: (1R,3aS,3bS,9aR,9bS,10S,11aS)-1-[2-(acetyloxy)acetyl]-10-hydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl pentanoate
IUPAC: (1R,3aS,3bS,9aR,9bS,10S,11aS)-1-[2-(acetyloxy)acetyl]-10-hydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl pentanoate
SMILES: [H][C@@]12CC[C@](OC(=O)CCCC)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:36,t:32|
SMILES: [H][C@@]12CC[C@](OC(=O)CCCC)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:36,t:32|
InChI key: DGYSDXLCLKPUBR-SLPNHVECSA-N
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