Name: 25-Hydroxy VD2-D6
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212666727
Cas No:1262843-46-8
常用名:25-Hydroxy VD2-D6
IUPAC:(1S,3Z)-3-{2-[(1R,3aS,4E,7aR)-1-[(2R,3E,5S)-6-hydroxy-6-(2H3)methyl-5-methyl(7,7,7-2H3)hept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol
IUPAC:(1S,3Z)-3-{2-[(1R,3aS,4E,7aR)-1-[(2R,3E,5S)-6-hydroxy-6-(2H3)methyl-5-methyl(7,7,7-2H3)hept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol
InChI key:KJKIIUAXZGLUND-SGQRFKNGSA-N

分子式:C28H44O2
分子量:418.695
氢键供体数 (HBD):2
氢键受体数 (HBA):2
LogP:5.6573973
SMILES:[H][C@@]12CC[C@H]([C@H](C)\C=C\[C@H](C)C(O)(C([2H])([2H])[2H])C([2H])([2H])[2H])[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)CCC1=C
SMILES:[H][C@@]12CC[C@H]([C@H](C)\C=C\[C@H](C)C(O)(C([2H])([2H])[2H])C([2H])([2H])[2H])[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)CCC1=C

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