Chem
J-GLOBAL ID：200907092491182450   Nikkaji number：J2.355.603K

(7E,20R)-21-(3-Hydroxy-3-methylbutyl)-26,26,26,27,27,27-hexafluoro-19-nor-9,10-secocholesta-5,7-diene-23-yne-1α,3β,25-triol

(7E,20R)-21-(3-ヒドロキシ-3-メチルブチル)-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-ジエン-23-イン-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： C31H44F6O4
Molecular formula furigana： C31-H44-F6-O4
Molecular weight： 594.679
InChI： InChI=1S/C31H44F6O4/c1-27(2,40)14-4-7-21(9-6-16-29(41,30(32,33)34)31(35,36)37)25-12-13-26-22(8-5-15-28(25,26)3)11-10-20-17-23(38)19-24(39)18-20/h10-11,21,23-26,38-41H,4-5,7-9,12-15,17-19H2,1-3H3/b22-11+/t21-,23-,24-,25-,26+,28-/m1/s1
InChI key： RAYDHJNMFBHXHA-DUSBBPLISA-N
SMILES： CC(C)(O)CCC[C@H](CC#CC(O)(C(F)(F)F)C(F)(F)F)[C@H]1CC[C@H]2/C(=C/C=C\3/C[C@@H](O)C[C@H](O)C3)/CCC[C@]12C
Systematic name  (3)：
  • (7E,20R)-21-(3-ヒドロキシ-3-メチルブチル)-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-ジエン-23-イン-1α,3β,25-トリオール
  • (1R,3R)-5-{2-[(1R,3aS,4E,7aR)-7a-メチル-1-[(6R)-1,1,1-トリフルオロ-2,10-ジヒドロキシ-10-メチル-2-(トリフルオロメチル)ウンデカ-3-イン-6-イル]-オクタヒドロ-1H-インデン-4-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-[(1R,3aS,4E,7aR)-7a-methyl-1-[(6R)-1,1,1-trifluoro-2,10-dihydroxy-10-methyl-2-(trifluoromethyl)undec-3-yn-6-yl]-octahydro-1H-inden-4-ylidene]ethylidene}cyclohexane-1,3-diol
Other name (1)：
  • (7E,20R)-21-(3-Hydroxy-3-methylbutyl)-26,26,26,27,27,27-hexafluoro-19-nor-9,10-secocholesta-5,7-diene-23-yne-1α,3β,25-triol
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