16β-hydroxycardiopetaline
HIT219229047
sdf文件结构编辑类似物检索
HIT ID: HIT219229047
Cas No: 852381-84-1
分子式: C21H33NO4
分子量: 363.498
常用名: 16β-hydroxycardiopetaline
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2R,3R,4S,5R,6S,8S,9S,10R,13R,16S,17R)-11-ethyl-13-methyl-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecane-4,6,8,16-tetrol
IUPAC: (2R,3R,4S,5R,6S,8S,9S,10R,13R,16S,17R)-11-ethyl-13-methyl-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecane-4,6,8,16-tetrol
SMILES: [H][C@]12C[C@]3([H])[C@]([H])([C@H]1O)[C@](O)(C[C@@H]2O)[C@@]1([H])C[C@@]2([H])C33[C@@H](O)CC[C@@]2(C)CN(CC)[C@]13[H]
SMILES: [H][C@]12C[C@]3([H])[C@]([H])([C@H]1O)[C@](O)(C[C@@H]2O)[C@@]1([H])C[C@@]2([H])C33[C@@H](O)CC[C@@]2(C)CN(CC)[C@]13[H]
InChI key: UMENVHXIPMXIRD-HUMDUNLPSA-N
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