Chem
J-GLOBAL ID:201307005518313732   Nikkaji number:J3.192.947D

(1S)-1α,2β-Bis[2-hydroxy-3-(tert-butyldimethylsilyl)-5-methylbenzylthio]cyclooctane

(1S)-1α,2β-ビス[2-ヒドロキシ-3-(tert-ブチルジメチルシリル)-5-メチルベンジルチオ]シクロオクタン
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: C36H60O2S2Si2
Molecular formula furigana: C36-H60-O2-S2-SI2
Molecular weight: 645.160
InChI: InChI=1S/C36H60O2S2Si2/c1-25-19-27(33(37)31(21-25)41(9,10)35(3,4)5)23-39-29-17-15-13-14-16-18-30(29)40-24-28-20-26(2)22-32(34(28)38)42(11,12)36(6,7)8/h19-22,29-30,37-38H,13-18,23-24H2,1-12H3/t29-,30-/m0/s1
InChI key: TYQYBKFMKRSIHG-KYJUHHDHSA-N
SMILES: Cc1cc(CS[C@H]2CCCCCC[C@@H]2SCc2cc(C)cc(c2O)[Si](C)(C)C(C)(C)C)c(O)c(c1)[Si](C)(C)C(C)(C)C
Systematic name  (3):
  • (1S)-1α,2β-ビス[2-ヒドロキシ-3-(tert-ブチルジメチルシリル)-5-メチルベンジルチオ]シクロオクタン
  • 2-(tert-ブチルジメチルシリル)-6-({[(1S,2S)-2-({[3-(tert-ブチルジメチルシリル)-2-ヒドロキシ-5-メチルフェニル]メチル}スルファニル)シクロオクチル]スルファニル}メチル)-4-メチルフェノール
  • 2-(tert-butyldimethylsilyl)-6-({[(1S,2S)-2-({[3-(tert-butyldimethylsilyl)-2-hydroxy-5-methylphenyl]methyl}sulfanyl)cyclooctyl]sulfanyl}methyl)-4-methylphenol
Other name (1):
  • (1S)-1α,2β-Bis[2-hydroxy-3-(tert-butyldimethylsilyl)-5-methylbenzylthio]cyclooctane
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