Chem
J-GLOBAL ID：200907092694620320   Nikkaji number：J910.593J

(20S,23E)-1α,25-Dihydroxy-26,26,26,27,27,27-hexafluoro-16,17,23,24-tetradehydrocholecalciferol

(20S,23E)-1α,25-ジヒドロキシ-26,26,26,27,27,27-ヘキサフルオロ-16,17,23,24-テトラデヒドロコレカルシフェロール
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： C27H34F6O3
Molecular formula furigana： C27-H34-F6-O3
Molecular weight： 520.556
InChI： InChI=1S/C27H34F6O3/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/h4,8-10,13,16,20,22-23,34-36H,2,5-7,11-12,14-15H2,1,3H3/b13-4+,18-8+,19-9-/t16-,20+,22-,23-,24+/m0/s1
InChI key： PPBSJIPSVIVOGA-GZPWBJBISA-N
SMILES： C[C@@H](C/C=C/C(O)(C(F)(F)F)C(F)(F)F)C1=CC[C@H]2/C(=C/C=C\3/C[C@@H](O)C[C@H](O)C3=C)/CCC[C@]12C
Systematic name  (3)：
  • (20S,23E)-1α,25-ジヒドロキシ-26,26,26,27,27,27-ヘキサフルオロ-16,17,23,24-テトラデヒドロコレカルシフェロール
  • (1R,3S,5Z)-5-{2-[(3aS,7E,7aS)-3a-メチル-3-[(2S,4E)-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-4-エン-2-イル]-3a,4,5,6,7,7a-ヘキサヒドロ-1H-インデン-7-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,3S,5Z)-5-{2-[(3aS,7E,7aS)-3a-methyl-3-[(2S,4E)-7,7,7-trifluoro-6-hydroxy-6-(trifluoromethyl)hept-4-en-2-yl]-3a,4,5,6,7,7a-hexahydro-1H-inden-7-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
Other name (1)：
  • (20S,23E)-1α,25-Dihydroxy-26,26,26,27,27,27-hexafluoro-16,17,23,24-tetradehydrocholecalciferol
Thsaurus map：
Thesaurus Map

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