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1-Deoxy-2,3,4,6-tetra-o-benzyl-1-phenylsulfinyl-beta-D-glucopyranose

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1-Deoxy-2,3,4,6-tetra-o-benzyl-1-phenylsulfinyl-beta-D-glucopyranose
SpectraBase Compound ID HKaOx2ig3B6
InChI InChI=1S/C40H40O6S/c41-47(35-24-14-5-15-25-35)40-39(45-29-34-22-12-4-13-23-34)38(44-28-33-20-10-3-11-21-33)37(43-27-32-18-8-2-9-19-32)36(46-40)30-42-26-31-16-6-1-7-17-31/h1-25,36-40H,26-30H2/t36-,37-,38+,39-,40+,47?/m1/s1
InChIKey SZCBPJJRURAJJH-IUOJASHRSA-N
Mol Weight 648.8 g/mol
Molecular Formula C40H40O6S
Exact Mass 648.25456 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6koX2dpd7YJ
Name 1-Deoxy-2,3,4,6-tetra-o-benzyl-1-phenylsulfinyl-beta-D-glucopyranose
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 648.254560176 u
Formula C40H40O6S
InChI InChI=1S/C40H40O6S/c41-47(35-24-14-5-15-25-35)40-39(45-29-34-22-12-4-13-23-34)38(44-28-33-20-10-3-11-21-33)37(43-27-32-18-8-2-9-19-32)36(46-40)30-42-26-31-16-6-1-7-17-31/h1-25,36-40H,26-30H2/t36-,37-,38+,39-,40+,47?/m1/s1
InChIKey SZCBPJJRURAJJH-IUOJASHRSA-N
Molecular Weight 648.814 g/mol
SMILES [C@]1([H])(S(C2=CC=CC=C2)=O)O[C@@]([C@@]([C@]([C@@]1([H])OCC1=CC=CC=C1)([H])OCC1=CC=CC=C1)([H])OCC1=CC=CC=C1)(COCC1=CC=CC=C1)[H]