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Benzyl 2,3,4-tri-o-benzoyl-6-o-trityl-.beta.-D-glucoside

View entire compound with spectra: 1 NMR

Benzyl 2,3,4-tri-o-benzoyl-6-o-trityl-.beta.-D-glucoside
SpectraBase Compound ID IqxDTov9K68
InChI InChI=1S/C53H44O9/c54-49(39-24-10-2-11-25-39)59-46-45(37-58-53(42-30-16-5-17-31-42,43-32-18-6-19-33-43)44-34-20-7-21-35-44)62-52(57,36-38-22-8-1-9-23-38)48(61-51(56)41-28-14-4-15-29-41)47(46)60-50(55)40-26-12-3-13-27-40/h1-35,45-48,57H,36-37H2/t45-,46+,47-,48-,52+/m0/s1
InChIKey DSXGNKAGVVZWHZ-PMJANPCYSA-N
Mol Weight 824.9 g/mol
Molecular Formula C53H44O9
Exact Mass 824.298533 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2AihUroOE1F
Name Benzyl 2,3,4-tri-o-benzoyl-6-o-trityl-.beta.-D-glucoside
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 824.298532988 u
Formula C53H44O9
InChI InChI=1S/C53H44O9/c54-49(39-24-10-2-11-25-39)59-46-45(37-58-53(42-30-16-5-17-31-42,43-32-18-6-19-33-43)44-34-20-7-21-35-44)62-52(57,36-38-22-8-1-9-23-38)48(61-51(56)41-28-14-4-15-29-41)47(46)60-50(55)40-26-12-3-13-27-40/h1-35,45-48,57H,36-37H2/t45-,46+,47-,48-,52+/m0/s1
InChIKey DSXGNKAGVVZWHZ-PMJANPCYSA-N
Molecular Weight 824.926 g/mol
SMILES [C@@]1([C@@](O[C@]([C@]([C@]1(OC(C1=CC=CC=C1)=O)[H])(OC(C1=CC=CC=C1)=O)[H])(O)CC1=CC=CC=C1)(COC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)[H])(OC(C1=CC=CC=C1)=O)[H]