Clometherone
HIT212711678
sdf文件结构编辑类似物检索
HIT ID: HIT212711678
Cas No: 5591-27-5
分子式: C22H31ClO2
分子量: 362.94
常用名: Clometherone
氢键受体数 (HBA): 2
氢键供体数 (HBD): 0
LogP: 4.5594044
IUPAC: (1S,2R,3aS,3bS,5S,9aR,9bS,11aS)-1-acetyl-5-chloro-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
IUPAC: (1S,2R,3aS,3bS,5S,9aR,9bS,11aS)-1-acetyl-5-chloro-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
SMILES: [H][C@@]12C[C@@H](C)[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](Cl)C2=CC(=O)CC[C@]12C |t:22|
SMILES: [H][C@@]12C[C@@H](C)[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](Cl)C2=CC(=O)CC[C@]12C |t:22|
InChI key: UMRURYMAPMZKQO-NDKKBYRMSA-N
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