Chem
J-GLOBAL ID：200907073558630652   Nikkaji number：J440.944B

F6-1,25(OH)2D3

26,27-ヘキサフルオロ-1,25-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： C27H38F6O3
Molecular formula furigana： C27-H38-F6-O3
Molecular weight： 524.588
InChI： InChI=1S/C27H38F6O3/c1-16(6-4-13-25(36,26(28,29)30)27(31,32)33)21-10-11-22-18(7-5-12-24(21,22)3)8-9-19-14-20(34)15-23(35)17(19)2/h8-9,16,20-23,34-36H,2,4-7,10-15H2,1,3H3/b18-8+,19-9-/t16-,20-,21-,22+,23?,24-/m1/s1
InChI key： XPYGGHVSFMUHLH-VOPKTWGDSA-N
SMILES： C[C@H](CCCC(O)(C(F)(F)F)C(F)(F)F)[C@H]1CC[C@H]2/C(=C/C=C\3/C[C@@H](O)CC(O)C3=C)/CCC[C@]12C
Systematic name  (3)：
  • 26,26,26,27,27,27-ヘキサフルオロ-1,25-ジヒドロキシコレカルシフェロール
  • (1R,5Z)-5-{2-[(1R,3aS,4E,7aR)-7a-メチル-1-[(2R)-7,7,7-トリフルオロ-6-ヒドロキシ-6-(トリフルオロメチル)ヘプタン-2-イル]-オクタヒドロ-1H-インデン-4-イリデン]エチリデン}-4-メチリデンシクロヘキサン-1,3-ジオール
  • (1R,5Z)-5-{2-[(1R,3aS,4E,7aR)-7a-methyl-1-[(2R)-7,7,7-trifluoro-6-hydroxy-6-(trifluoromethyl)heptan-2-yl]-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
Other name (7)：
  • 26,27-ヘキサフルオロ-1,25-ジヒドロキシビタミンD3
  • 26,27-Hexafluoro-1,25-dihydroxy vitamine D3
  • 26,26,26,27,27,27-Hexafluoro-1,25-dihydroxycholecalciferol
  • 26,27-F6-1,25-(OH)2D3
  • 26,26,26,27,27,27-ヘキサフルオロ-1,25-ジヒドロキシビタミンD3
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