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(-)-[1S(1R),3S,4S,6S]-6-[(tert-butyldiphenylsilyloxy)methyl]-1-[1-(hydroxymethyl)-3-(phenylsulphonyl)propyl]-4-methyl-1,3-cyclohexanediol
SpectraBase Compound ID 5xV37OgmNux
InChI InChI=1S/C34H46O6SSi/c1-26-22-28(25-40-42(33(2,3)4,30-16-10-6-11-17-30)31-18-12-7-13-19-31)34(37,23-32(26)36)27(24-35)20-21-41(38,39)29-14-8-5-9-15-29/h5-19,26-28,32,35-37H,20-25H2,1-4H3/t26-,27?,28-,32-,34-/m0/s1
InChIKey VKEHSPJKCXVTCH-YJZNPHCESA-N
Mol Weight 610.9 g/mol
Molecular Formula C34H46O6SSi
Exact Mass 610.278437 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 54NrYzQcEQx
Name (-)-[1S(1R),3S,4S,6S]-6-[(tert-butyldiphenylsilyloxy)methyl]-1-[1-(hydroxymethyl)-3-(phenylsulphonyl)propyl]-4-methyl-1,3-cyclohexanediol
CAS Registry Number 127854-65-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H46O6SSi
InChI InChI=1S/C34H46O6SSi/c1-26-22-28(25-40-42(33(2,3)4,30-16-10-6-11-17-30)31-18-12-7-13-19-31)34(37,23-32(26)36)27(24-35)20-21-41(38,39)29-14-8-5-9-15-29/h5-19,26-28,32,35-37H,20-25H2,1-4H3/t26-,27?,28-,32-,34-/m0/s1
InChIKey VKEHSPJKCXVTCH-YJZNPHCESA-N
Molecular Weight 610.881 g/mol
SMILES O[C@]1(C[C@](C(CCS(=O)(=O)c2ccccc2)CO)([C@@](C[C@@]1(C)[H])(CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)[H])O)[H]
SPLASH splash10-0002-0900000000-666abbc00f2ac264db1c
Source of Spectrum F-45-7181-28
Synonyms (+)-[1S(1S),3S,4S,6S]-6-[(tert-butyldiphenylsiloxy)methyl]-1-[1-(hydroxymethyl)-3-(phenylsulphonyl)propyl]-4-methyl-1,3-cyclohexanediol (1S,3S,4S,6S)-6-({[tert-butyl(diphenyl)silyl]oxy}methyl)-1-[1-(hydroxymethyl)-3-(phenylsulfonyl)propyl]-4-methyl-1,3-cyclohexanediol
Wiley ID 1410912