Maxacalcitol-D6
HIT212673205
sdf文件结构编辑类似物检索
HIT ID: HIT212673205
Cas No: 2070009-38-8
分子式: C26H42O4
分子量: 424.655
常用名: Maxacalcitol-D6
氢键受体数 (HBA): 4
氢键供体数 (HBD): 3
LogP: 2.7929602
IUPAC: (1R,3S,5Z)-5-{2-[(1S,3aS,4E,7aS)-1-[(1S)-1-[3-hydroxy-3-(2H3)methyl(4,4,4-2H3)butoxy]ethyl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
IUPAC: (1R,3S,5Z)-5-{2-[(1S,3aS,4E,7aS)-1-[(1S)-1-[3-hydroxy-3-(2H3)methyl(4,4,4-2H3)butoxy]ethyl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
SMILES: [H][C@@]12CC[C@H]([C@H](C)OCCC(O)(C([2H])([2H])[2H])C([2H])([2H])[2H])[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C
SMILES: [H][C@@]12CC[C@H]([C@H](C)OCCC(O)(C([2H])([2H])[2H])C([2H])([2H])[2H])[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C
InChI key: DTXXSJZBSTYZKE-OXMAATCFSA-N
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