Chem
J-GLOBAL ID：200907020114101320   Nikkaji number：J1.066.341E

4,4-Difluoro-1α,25-dihydroxyvitamin D3

4,4-ジフルオロ-1α,25-ジヒドロキシビタミンD3
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C27H42F2O3
Molecular formula furigana： C27-H42-F2-O3
Molecular weight： 452.627
InChI： InChI=1S/C27H42F2O3/c1-17(8-6-14-25(3,4)32)20-12-13-22-19(9-7-15-26(20,22)5)10-11-21-18(2)23(30)16-24(31)27(21,28)29/h10-11,17,20,22-24,30-32H,2,6-9,12-16H2,1,3-5H3/b19-10+,21-11+/t17-,20-,22+,23+,24+,26-/m1/s1
InChI key： GCODTJZESMVHBK-RHDZNSGOSA-N
SMILES： C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C/3\C(=C)[C@@H](O)C[C@H](O)C3(F)F)/CCC[C@]12C
Systematic name  (3)：
  • 1α,25-ジヒドロキシ-4,4-ジフルオロコレカルシフェロール
  • (1S,3S,5E)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R)-6-ヒドロキシ-6-メチルヘプタン-2-イル]-7a-メチル-オクタヒドロ-1H-インデン-4-イリデン]エチリデン}-4,4-ジフルオロ-6-メチリデンシクロヘキサン-1,3-ジオール
  • (1S,3S,5E)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4,4-difluoro-6-methylidenecyclohexane-1,3-diol
Other name (3)：
  • 1α,25-Dihydroxy-4,4-difluorocholecalciferol
  • 4,4-Difluoro-1α,25-dihydroxyvitamin D3
  • 4,4-ジフルオロ-1α,25-ジヒドロキシビタミンD3
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