Name: (1S,3aS,3bS,5aS,9aS,9bS,11aS)-1-[1-hydroxy(1,2-13C2)ethyl]-9a,11a-dimethyl-tetradecahydro(6,7,8-13C3)-1H-cyclopenta[a]phenanthren-7-ol
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sdf 文件

结构编辑

类似物检索

HIT ID:HIT220973414
Cas No:
常用名:(1S,3aS,3bS,5aS,9aS,9bS,11aS)-1-[1-hydroxy(1,2-13C2)ethyl]-9a,11a-dimethyl-tetradecahydro(6,7,8-13C3)-1H-cyclopenta[a]phenanthren-7-ol
常用名:(1S,3aS,3bS,5aS,9aS,9bS,11aS)-1-[1-hydroxy(1,2-13C2)ethyl]-9a,11a-dimethyl-tetradecahydro(6,7,8-13C3)-1H-cyclopenta[a]phenanthren-7-ol
IUPAC:(1S,3aS,3bS,5aS,9aS,9bS,11aS)-1-[1-hydroxy(1,2-13C2)ethyl]-9a,11a-dimethyl-hexadecahydro(6,7,8-13C3)-1H-cyclopenta[a]phenanthren-7-ol
IUPAC:(1S,3aS,3bS,5aS,9aS,9bS,11aS)-1-[1-hydroxy(1,2-13C2)ethyl]-9a,11a-dimethyl-hexadecahydro(6,7,8-13C3)-1H-cyclopenta[a]phenanthren-7-ol
InChI key:InChIKey=YWYQTGBBEZQBGO-ZWTASMTDSA-N

分子式:C21H36O2
分子量:325.479
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@]12CC[C@H]3[C@@H](CC[C@@H]4[13CH2][13CH](O)[13CH2]C[C@]34C)[C@@H]1CC[C@@H]2[13CH]([13CH3])O
SMILES:C[C@]12CC[C@H]3[C@@H](CC[C@@H]4[13CH2][13CH](O)[13CH2]C[C@]34C)[C@@H]1CC[C@@H]2[13CH]([13CH3])O

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