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phenyl 2-(4-methylphenylsulfide)-3,4,6-tri-O-benzyl-b-C-glucoside
SpectraBase Compound ID FO7wAK33nY2
InChI InChI=1S/C40H40O4S/c1-30-22-24-35(25-23-30)45-40-37(34-20-12-5-13-21-34)44-36(29-41-26-31-14-6-2-7-15-31)38(42-27-32-16-8-3-9-17-32)39(40)43-28-33-18-10-4-11-19-33/h2-25,36-40H,26-29H2,1H3/t36-,37+,38-,39+,40+/m1/s1
InChIKey HMHJIALUGRGSRT-CSISHVCHSA-N
Mol Weight 616.8 g/mol
Molecular Formula C40H40O4S
Exact Mass 616.264731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FGyJlxSbjD0
Name phenyl 2-(4-methylphenylsulfide)-3,4,6-tri-O-benzyl-b-C-glucoside
Alternate Name(s) 1,5-anhydro-3,4,6-tri-O-benzyl-2-S-(4-methylphenyl)-1-phenyl-2-thiohexitol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H40O4S
InChI InChI=1S/C40H40O4S/c1-30-22-24-35(25-23-30)45-40-37(34-20-12-5-13-21-34)44-36(29-41-26-31-14-6-2-7-15-31)38(42-27-32-16-8-3-9-17-32)39(40)43-28-33-18-10-4-11-19-33/h2-25,36-40H,26-29H2,1H3/t36-,37+,38-,39+,40+/m1/s1
InChIKey HMHJIALUGRGSRT-CSISHVCHSA-N
Molecular Weight 616.816 g/mol
SMILES [C@@]1([C@]([C@](OCc2ccccc2)([C@](O[C@]1(c1ccccc1)[H])(COCc1ccccc1)[H])[H])(OCc1ccccc1)[H])(Sc1ccc(cc1)C)[H]
SPLASH splash10-0006-9300000000-1cb7d0f551bc42b0edc5
Source of Spectrum O-29-309-0
Wiley ID 1411344