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Methyl (1S,2R,3S,4R,5R)-5-[(tert-Butyl)dimethylsilyloxy]-3,4-dihydroxy-2-(phenylthio)cyclohexane-1-carboxylate
SpectraBase Compound ID 6lL7OhH6VBA
InChI InChI=1S/C20H32O6SSi/c1-19(2,3)28(5,6)26-14-12-20(24,18(23)25-4)17(16(22)15(14)21)27-13-10-8-7-9-11-13/h7-11,14-17,21-22,24H,12H2,1-6H3/t14-,15+,16+,17-,20-/m1/s1
InChIKey DKTGTPYFFQSFSM-YNIGFRRXSA-N
Mol Weight 428.6 g/mol
Molecular Formula C20H32O6SSi
Exact Mass 428.168886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IXSzMOaWb2e
Name Methyl (1S,2R,3S,4R,5R)-5-[(tert-Butyl)dimethylsilyloxy]-3,4-dihydroxy-2-(phenylthio)cyclohexane-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O6SSi
InChI InChI=1S/C20H32O6SSi/c1-19(2,3)28(5,6)26-14-12-20(24,18(23)25-4)17(16(22)15(14)21)27-13-10-8-7-9-11-13/h7-11,14-17,21-22,24H,12H2,1-6H3/t14-,15+,16+,17-,20-/m1/s1
InChIKey DKTGTPYFFQSFSM-YNIGFRRXSA-N
Literature Reference DOI 10.1002/hlca.19910740415
Molecular Weight 428.615 g/mol
SMILES O[C@@]1(C[C@]([C@@]([C@@]([C@]1(Sc1ccccc1)[H])(O)[H])(O)[H])(O[Si](C(C)(C)C)(C)C)[H])C(OC)=O
SPLASH splash10-00b9-9124000000-026bee90a56fb6bd0aaf
Source of Spectrum H-74-815-17
Synonyms Methyl (1S,2R,3S,4R,5R)-5-((tert-butyldimethylsilyl)oxy)-1,3,4-trihydroxy-2-(phenylthio)cyclohexane-1-carboxylate
Wiley ID 1789257