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1,3-Cyclohexanediol, 6-[[[(1,1-dimethylethyl)diphenylsilyl]oxy]methy l]-4-methyl-1-[1-methylene-3-(phenylthio)propyl]-, [1S-(1.alpha.,3.beta.,4.alpha.,6.alpha.)]-
SpectraBase Compound ID 6rG1jDwNrHe
InChI InChI=1S/C34H44O3SSi/c1-26-23-28(34(36,24-32(26)35)27(2)21-22-38-29-15-9-6-10-16-29)25-37-39(33(3,4)5,30-17-11-7-12-18-30)31-19-13-8-14-20-31/h6-20,26,28,32,35-36H,2,21-25H2,1,3-5H3/t26-,28-,32-,34+/m1/s1
InChIKey ICBOHMDHKHHAKC-AXMQAMFRSA-N
Mol Weight 560.9 g/mol
Molecular Formula C34H44O3SSi
Exact Mass 560.278043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E3Z7WHGFxXH
Name 1,3-Cyclohexanediol, 6-[[[(1,1-dimethylethyl)diphenylsilyl]oxy]methy l]-4-methyl-1-[1-methylene-3-(phenylthio)propyl]-, [1S-(1.alpha.,3.beta.,4.alpha.,6.alpha.)]-
CAS Registry Number 127785-53-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H44O3SSi
InChI InChI=1S/C34H44O3SSi/c1-26-23-28(34(36,24-32(26)35)27(2)21-22-38-29-15-9-6-10-16-29)25-37-39(33(3,4)5,30-17-11-7-12-18-30)31-19-13-8-14-20-31/h6-20,26,28,32,35-36H,2,21-25H2,1,3-5H3/t26-,28-,32-,34+/m1/s1
InChIKey ICBOHMDHKHHAKC-AXMQAMFRSA-N
Molecular Weight 560.868 g/mol
SMILES O[C@@]1(C[C@@]([C@](C[C@]1(C)[H])(CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)[H])(C(=C)CCSc1ccccc1)O)[H]
SPLASH splash10-0002-0900130000-f80619e329e4872aba9e
Source of Spectrum F-45-7181-25
Synonyms (+)-(1S,3S,4S,6S)-6-[(tert-Butyldiphenylsilyloxy)methyl]-4-methyl-1-[1-methylene-3-(phenylthio)propyl]-1,3-cyclohexanediol (1R,3R,4R,6R)-6-({[tert-butyl(diphenyl)silyl]oxy}methyl)-4-methyl-1-{1-[2-(phenylsulfanyl)ethyl]vinyl}-1,3-cyclohexanediol
Wiley ID 1406790