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formylmethyl 2-(4-methylphenylsulfide)-3,4,6-tri-O-benzyl-b-C-glucoside
SpectraBase Compound ID 5u4us9p53Jl
InChI InChI=1S/C36H38O5S/c1-27-17-19-31(20-18-27)42-36-32(21-22-37)41-33(26-38-23-28-11-5-2-6-12-28)34(39-24-29-13-7-3-8-14-29)35(36)40-25-30-15-9-4-10-16-30/h2-20,22,32-36H,21,23-26H2,1H3/t32-,33+,34+,35-,36-/m0/s1
InChIKey WKKBDSKSYQTKIP-PYHSBISQSA-N
Mol Weight 582.8 g/mol
Molecular Formula C36H38O5S
Exact Mass 582.243995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2I0YI68MYMs
Name formylmethyl 2-(4-methylphenylsulfide)-3,4,6-tri-O-benzyl-b-C-glucoside
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H38O5S
InChI InChI=1S/C36H38O5S/c1-27-17-19-31(20-18-27)42-36-32(21-22-37)41-33(26-38-23-28-11-5-2-6-12-28)34(39-24-29-13-7-3-8-14-29)35(36)40-25-30-15-9-4-10-16-30/h2-20,22,32-36H,21,23-26H2,1H3/t32-,33+,34+,35-,36-/m0/s1
InChIKey WKKBDSKSYQTKIP-PYHSBISQSA-N
Molecular Weight 582.755 g/mol
SMILES [C@@]1([C@]([C@](CC=O)(O[C@@]([C@]1(OCc1ccccc1)[H])(COCc1ccccc1)[H])[H])(Sc1ccc(cc1)C)[H])(OCc1ccccc1)[H]
SPLASH splash10-006x-1930000000-7f4b19eaf503ed131c74
Source of Spectrum O-29-309-0
Synonyms 3,7-anhydro-5,6,8-tri-O-benzyl-2-deoxy-4-S-(4-methylphenyl)-4-thiooctose
Wiley ID 1408689