Chem
J-GLOBAL ID：200907052210330356   Nikkaji number：J913.157D

26,26,26,27,27,27-Hexafluoro-19,28-dinor-9,10-secoergosta-5,7,16-trien-23-yne-1α,3β,25-triol

1α,3β,25-トリヒドロキシ-26,26,26,27,27,27-ヘキサフルオロ-19-ノル-9,10-セココレスタ-5,7,16-トリエン-23-イン
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： C26H32F6O3
Molecular formula furigana： C26-H32-F6-O3
Molecular weight： 506.529
InChI： InChI=1S/C26H32F6O3/c1-16(5-3-12-24(35,25(27,28)29)26(30,31)32)21-9-10-22-18(6-4-11-23(21,22)2)8-7-17-13-19(33)15-20(34)14-17/h7-9,16,19-20,22,33-35H,4-6,10-11,13-15H2,1-2H3/t16-,19-,20-,22+,23-/m1/s1
InChI key： NMTKDFODVOFVPG-ZTOLMKNVSA-N
SMILES： C[C@H](CC#CC(O)(C(F)(F)F)C(F)(F)F)C1=CC[C@H]2C(=C/C=C\3/C[C@@H](O)C[C@H](O)C3)CCC[C@]12C
Systematic name  (5)：
  • 26,26,26,27,27,27-ヘキサフルオロ-19,28-ジノル-9,10-セコエルゴスタ-5,7,16-トリエン-23-イン-1α,3β,25-トリオール
  • 26,26,26,27,27,27-ヘキサフルオロ-9,10-セコ-19,28-ジノルエルゴスタ-5,7,16-トリエン-23-イン-1α,3β,25-トリオール
  • 1α,3β,25-トリヒドロキシ-26,26,26,27,27,27-ヘキサフルオロ-19-ノル-9,10-セココレスタ-5,7,16-トリエン-23-イン
  • (1R,3R)-5-{2-[(3aS,7aS)-3a-メチル-3-[(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-4-イン-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}シクロヘキサン-1,3-ジオール
  • (1R,3R)-5-{2-[(3aS,7aS)-3a-methyl-3-[(2R)-7,7,7-trifluoro-6-hydroxy-6-(trifluoromethyl)hept-4-yn-2-yl]-3a,4,5,6,7,7a-hexahydro-1H-inden-7-ylidene]ethylidene}cyclohexane-1,3-diol
Other name (3)：
  • 26,26,26,27,27,27-Hexafluoro-19,28-dinor-9,10-secoergosta-5,7,16-trien-23-yne-1α,3β,25-triol
  • 26,26,26,27,27,27-Hexafluoro-9,10-seco-19,28-dinorergosta-5,7,16-triene-23-yne-1α,3β,25-triol
  • 1α,3β,25-Trihydroxy-26,26,26,27,27,27-hexafluoro-19-nor-9,10-secocholesta-5,7,16-triene-23-yne
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