Pregnanolone
HIT212709561
sdf文件结构编辑类似物检索
HIT ID: HIT212709561
Cas No: 128-20-1
分子式: C21H34O2
分子量: 318.501
常用名: Pregnanolone
氢键受体数 (HBA): 2
氢键供体数 (HBD): 1
LogP: 3.986938
IUPAC: 1-[(1S,3aS,3bR,5aR,7R,9aS,9bS,11aS)-7-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]ethan-1-one
IUPAC: 1-[(1S,3aS,3bR,5aR,7R,9aS,9bS,11aS)-7-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]ethan-1-one
SMILES: [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C
SMILES: [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C
InChI key: AURFZBICLPNKBZ-YZRLXODZSA-N
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供应商规格单价货期纯度操作
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