Name: 2-Hydroxymethylene ethisterone
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT217687521
Cas No:2787-02-2
常用名:2-Hydroxymethylene ethisterone
别名:2-羟基亚甲基乙酮
IUPAC:(1R,3aS,3bR,8Z,9aR,9bS,11aS)-1-ethynyl-1-hydroxy-8-(hydroxymethylidene)-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,8Z,9aR,9bS,11aS)-1-ethynyl-1-hydroxy-8-(hydroxymethylidene)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
InChI key:FYEOMZSZJFOTGQ-GXWGVVPNSA-N

分子式:C22H28O3
分子量:340.463
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)\C(C[C@]34C)=C/O)[C@@H]1CC[C@@]2(O)C#C
SMILES:C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)\C(C[C@]34C)=C/O)[C@@H]1CC[C@@]2(O)C#C

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