Name: (1R,3aS,3bR,9aS,9bS,11aS)-1-acetyl-1-hydroxy-9a,11a-dimethyl(6,7,8-13C3)-2H,3H,3aH,3bH,4H,5H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-one
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT221058434
Cas No:
常用名:(1R,3aS,3bR,9aS,9bS,11aS)-1-acetyl-1-hydroxy-9a,11a-dimethyl(6,7,8-13C3)-2H,3H,3aH,3bH,4H,5H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-one
常用名:(1R,3aS,3bR,9aS,9bS,11aS)-1-acetyl-1-hydroxy-9a,11a-dimethyl(6,7,8-13C3)-2H,3H,3aH,3bH,4H,5H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-one
IUPAC:(1R,3aS,3bR,9aS,9bS,11aS)-1-acetyl-1-hydroxy-9a,11a-dimethyl(6,7,8-13C3)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
IUPAC:(1R,3aS,3bR,9aS,9bS,11aS)-1-acetyl-1-hydroxy-9a,11a-dimethyl(6,7,8-13C3)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
InChI key:InChIKey=DBPWSSGDRRHUNT-GGSYSODVSA-N

分子式:C21H30O3
分子量:333.445
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=[13CH][13C](=O)[13CH2]C[C@]12C
SMILES:[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=[13CH][13C](=O)[13CH2]C[C@]12C

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