Clogestone acetate
HIT212682502
sdf文件结构编辑类似物检索
HIT ID: HIT212682502
Cas No: 3044-32-4
分子式: C25H33ClO5
分子量: 448.98
常用名: Clogestone acetate
氢键受体数 (HBA): 3
氢键供体数 (HBD): 0
LogP: 3.746933
IUPAC: (1R,3aS,3bR,7S,9aR,9bS,11aS)-1-acetyl-7-(acetyloxy)-5-chloro-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl acetate
IUPAC: (1R,3aS,3bR,7S,9aR,9bS,11aS)-1-acetyl-7-(acetyloxy)-5-chloro-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl acetate
SMILES: [H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(Cl)C2=C[C@H](CC[C@]12C)OC(C)=O |t:22,25|
SMILES: [H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(Cl)C2=C[C@H](CC[C@]12C)OC(C)=O |t:22,25|
InChI key: KSCZWFXQKITHSL-OKCNGXCSSA-N
共显示1个结果
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