HIT ID: HIT212037264
Cas No: 19356-17-3;73809-05-9
分子式: C27H44O2
分子量: 400.647
常用名: 3-epi-25-hydroxy Vitamin D3
氢键受体数 (HBA): 2
氢键供体数 (HBD): 2
LogP: 5.654346
IUPAC: (1R,3Z)-3-{2-[(1R,3aS,4E,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol
IUPAC: (1R,3Z)-3-{2-[(1R,3aS,4E,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol
SMILES: [H][C@@]12CC[C@H]([C@H](C)CCCC(C)(C)O)[C@@]1(C)CCC\C2=C/C=C1/C[C@H](O)CCC1=C
SMILES: [H][C@@]12CC[C@H]([C@H](C)CCCC(C)(C)O)[C@@]1(C)CCC\C2=C/C=C1/C[C@H](O)CCC1=C
InChI key: JWUBBDSIWDLEOM-UEGFJKGBSA-N
