Chem
J-GLOBAL ID:200907024868594809   Nikkaji number:J1.369.088J

(5Z,7E)-1α,3β-Bis(tert-butyldimethylsiloxy)-25-(methoxymethoxy)-26,26,26,27,27,27-hexafluoro-9,10-secocholesta-5,7,10(19)-triene

(5Z,7E)-1α,3β-ビス(tert-ブチルジメチルシロキシ)-25-(メトキシメトキシ)-26,26,26,27,27,27-ヘキサフルオロ-9,10-セココレスタ-5,7,10(19)-トリエン
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: C41H70F6O4Si2
Molecular formula furigana: C41-H70-F6-O4-SI2
Molecular weight: 797.167
InChI: InChI=1S/C41H70F6O4Si2/c1-28(17-15-24-39(40(42,43)44,41(45,46)47)49-27-48-10)33-21-22-34-30(18-16-23-38(33,34)9)19-20-31-25-32(50-52(11,12)36(3,4)5)26-35(29(31)2)51-53(13,14)37(6,7)8/h19-20,28,32-35H,2,15-18,21-27H2,1,3-14H3/b30-19+,31-20-/t28-,32-,33-,34+,35+,38-/m1/s1
InChI key: OHTNVXMUCLYNNN-ZKXSKOKJSA-N
SMILES: COCOC(CCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C\3/C[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)C3=C)O[Si](C)(C)C(C)(C)C)/CCC[C@]12C)(C(F)(F)F)C(F)(F)F
Systematic name  (3):
  • (5Z,7E)-1α,3β-ビス(tert-ブチルジメチルシロキシ)-25-(メトキシメトキシ)-26,26,26,27,27,27-ヘキサフルオロ-9,10-セココレスタ-5,7,10(19)-トリエン
  • {[(1R,3Z,5S)-3-{2-[(1R,3aS,4E,7aR)-7a-メチル-1-[(2R)-7,7,7-トリフルオロ-6-(メトキシメトキシ)-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}-5-[(tert-ブチルジメチルシリル)オキシ]-4-メチリデンシクロヘキシル]オキシ}(tert-ブチル)ジメチルシラン
  • {[(1R,3Z,5S)-3-{2-[(1R,3aS,4E,7aR)-7a-methyl-1-[(2R)-7,7,7-trifluoro-6-(methoxymethoxy)-6-(trifluoromethyl)heptan-2-yl]-octahydro-1H-inden-4-ylidene]ethylidene}-5-[(tert-butyldimethylsilyl)oxy]-4-methylidenecyclohexyl]oxy}(tert-butyl)dimethylsilane
Other name (1):
  • (5Z,7E)-1α,3β-Bis(tert-butyldimethylsiloxy)-25-(methoxymethoxy)-26,26,26,27,27,27-hexafluoro-9,10-secocholesta-5,7,10(19)-triene
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