Ethisterone
HIT100757162
sdf文件结构编辑类似物检索
HIT ID: HIT100757162
Cas No: 434-03-7
分子式: C21H28O2
分子量: 312.453
常用名: Ethisterone
氢键受体数 (HBA): 2
氢键供体数 (HBD): 1
LogP: 3.489000000000000e+000
IUPAC: (1R,3aS,3bR,9aR,9bS,11aS)-1-ethynyl-1-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
IUPAC: (1R,3aS,3bR,9aR,9bS,11aS)-1-ethynyl-1-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
SMILES: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]2(O)C#C |t:8|
SMILES: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]2(O)C#C |t:8|
InChI key: CHNXZKVNWQUJIB-CEGNMAFCSA-N
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TargetMol
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1501-3天 购物车
Vitas-M
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InterBioScreen
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BIONET-Key Organics
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BIONET-Key Organics
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Princeton BioMolecal Research
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Pharmeks
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40923-5周 购物车
Mcule
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Mcule
SC
4314-5周 购物车
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