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2-formylisopropyl 2-(4-methylphenylsulfide)-3,4,6-tri-O-benzyl-b-C-glucoside
SpectraBase Compound ID KQxpt31nHlV
InChI InChI=1S/C38H42O5S/c1-28-19-21-32(22-20-28)44-36-35(42-25-31-17-11-6-12-18-31)34(41-24-30-15-9-5-10-16-30)33(43-37(36)38(2,3)27-39)26-40-23-29-13-7-4-8-14-29/h4-22,27,33-37H,23-26H2,1-3H3/t33-,34-,35+,36-,37-/m1/s1
InChIKey PNLYYJSBAUSHAQ-KHKVHWIZSA-N
Mol Weight 610.8 g/mol
Molecular Formula C38H42O5S
Exact Mass 610.275296 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C7IfgXxnqEi
Name 2-formylisopropyl 2-(4-methylphenylsulfide)-3,4,6-tri-O-benzyl-b-C-glucoside
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H42O5S
InChI InChI=1S/C38H42O5S/c1-28-19-21-32(22-20-28)44-36-35(42-25-31-17-11-6-12-18-31)34(41-24-30-15-9-5-10-16-30)33(43-37(36)38(2,3)27-39)26-40-23-29-13-7-4-8-14-29/h4-22,27,33-37H,23-26H2,1-3H3/t33-,34-,35+,36-,37-/m1/s1
InChIKey PNLYYJSBAUSHAQ-KHKVHWIZSA-N
Molecular Weight 610.809 g/mol
SMILES [C@@]1([C@]([C@](OCc2ccccc2)([C@](O[C@]1(C(C=O)(C)C)[H])(COCc1ccccc1)[H])[H])(OCc1ccccc1)[H])(Sc1ccc(cc1)C)[H]
SPLASH splash10-000x-2930000000-70e52d4c398608577117
Source of Spectrum O-29-309-0
Wiley ID 1410940