Name: VD2-D3
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212671654
Cas No:1217448-46-8
常用名:VD2-D3
IUPAC:(1S,3Z)-3-{2-[(1R,3aS,4E,7aR)-1-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene](1-2H)ethylidene}-4-(2H2)methylidenecyclohexan-1-ol
IUPAC:(1S,3Z)-3-{2-[(1R,3aS,4E,7aR)-1-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene](1-2H)ethylidene}-4-(2H2)methylidenecyclohexan-1-ol
InChI key:MECHNRXZTMCUDQ-OQGZBSKRSA-N

分子式:C28H44O
分子量:399.677
氢键供体数 (HBD):1
氢键受体数 (HBA):1
LogP:7.050558
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SMILES:[H][C@@]12[#6]-[#6]-[#6@H](-[#6@H](-[#6])\[#6]=[#6]\[#6@H](-[#6])-[#6](-[#6])-[#6])[C@@]1([#6])[#6]-[#6]-[#6]\[#6]2=[#6]/[#6](/[2H])=[#6]1/[#6]-[#6@@H](-[#8])-[#6]-[#6]/[#6]/1=[#6](/[2H])[2H]

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