Chem
J-GLOBAL ID：200907098081348413   Nikkaji number：J912.776C

(5Z,7E,22E)-24-[(E)-2-Hydroxy-2-(trifluoromethyl)-3,3,3-trifluoropropylidene]-9,10-seco-28-norergosta-5,7,10(19),22-tetraene-1α,3β,25-triol

(5Z,7E,22E)-24-[(E)-2-ヒドロキシ-2-(トリフルオロメチル)-3,3,3-トリフルオロプロピリデン]-9,10-セコ-28-ノルエルゴスタ-5,7,10(19),22-テトラエン-1α,3β,25-トリオール
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： C31H42F6O4
Molecular formula furigana： C31-H42-F6-O4
Molecular weight： 592.663
InChI： InChI=1S/C31H42F6O4/c1-18(8-11-22(27(3,4)40)17-29(41,30(32,33)34)31(35,36)37)24-12-13-25-20(7-6-14-28(24,25)5)9-10-21-15-23(38)16-26(39)19(21)2/h8-11,17-18,23-26,38-41H,2,6-7,12-16H2,1,3-5H3/b11-8+,20-9+,21-10-,22-17+/t18-,23-,24-,25+,26+,28-/m1/s1
InChI key： YOXHSZMPYGGKCA-XGPCHIEZSA-N
SMILES： C[C@H](/C=C/C(=C\C(O)(C(F)(F)F)C(F)(F)F)/C(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C\3/C[C@@H](O)C[C@H](O)C3=C)/CCC[C@]12C
Systematic name  (3)：
  • (5Z,7E,22E)-24-[(E)-2-ヒドロキシ-2-(トリフルオロメチル)-3,3,3-トリフルオロプロピリデン]-9,10-セコ-28-ノルエルゴスタ-5,7,10(19),22-テトラエン-1α,3β,25-トリオール
  • (1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-7a-メチル-1-[(2R,3E,5E)-8,8,8-トリフルオロ-7-ヒドロキシ-5-(2-ヒドロキシプロパン-2-イル)-7-(トリフルオロメチル)オクタ-3,5-ジエン-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,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-7a-methyl-1-[(2R,3E,5E)-8,8,8-trifluoro-7-hydroxy-5-(2-hydroxypropan-2-yl)-7-(trifluoromethyl)octa-3,5-dien-2-yl]-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
Other name (1)：
  • (5Z,7E,22E)-24-[(E)-2-Hydroxy-2-(trifluoromethyl)-3,3,3-trifluoropropylidene]-9,10-seco-28-norergosta-5,7,10(19),22-tetraene-1α,3β,25-triol
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