Anordiol
HIT212676108
sdf文件结构编辑类似物检索
HIT ID: HIT212676108
Cas No: 1045-29-0
分子式: C22H30O2
分子量: 326.48
常用名: Anordiol
氢键受体数 (HBA): 2
氢键供体数 (HBD): 2
LogP: 3.0628917
IUPAC: (1S,2S,4R,6S,9R,10S,13R,14S)-4,13-diethynyl-2,14-dimethyltetracyclo[7.7.0.0^{2,6}.0^{10,14}]hexadecane-4,13-diol
IUPAC: (1S,2S,4R,6S,9R,10S,13R,14S)-4,13-diethynyl-2,14-dimethyltetracyclo[7.7.0.0^{2,6}.0^{10,14}]hexadecane-4,13-diol
SMILES: [H][C@]12C[C@@](O)(C[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@]([H])(CC[C@@]3(O)C#C)[C@]1([H])CC2)C#C
SMILES: [H][C@]12C[C@@](O)(C[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@]([H])(CC[C@@]3(O)C#C)[C@]1([H])CC2)C#C
InChI key: HUUUMTTWAPMBMU-ZBJWQKIUSA-N
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