Compound 0449-0076
HIT211253977
sdf文件结构编辑类似物检索
HIT ID: HIT211253977
Cas No:
分子式: C23H31NO5
分子量: 401.503
常用名: Compound 0449-0076
氢键受体数 (HBA): 7
氢键供体数 (HBD): 3
LogP: 1.199
IUPAC: (3bR,9bS)-3a,5a,7-trihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbonitrile
IUPAC: (3bR,9bS)-3a,5a,7-trihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbonitrile
SMILES: [H][C@@]12CCC3(O)CC(O)CCC3(C#N)[C@@]1([H])CCC1(C)C(CCC21O)C1=CC(=O)OC1 |t:29|
SMILES: [H][C@@]12CCC3(O)CC(O)CCC3(C#N)[C@@]1([H])CCC1(C)C(CCC21O)C1=CC(=O)OC1 |t:29|
InChI key: BAOMKOXOVLCSLQ-PWQQVRBZSA-N
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