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Benzyl-2,3,6-tri-o-benzoyl-4-deoxy-4-fluoro-beta-D-glucopyranoside

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Benzyl-2,3,6-tri-o-benzoyl-4-deoxy-4-fluoro-beta-D-glucopyranoside
SpectraBase Compound ID 27IucruMjZ7
InChI InChI=1S/C34H29FO8/c35-28-27(22-39-31(36)24-15-7-2-8-16-24)41-34(40-21-23-13-5-1-6-14-23)30(43-33(38)26-19-11-4-12-20-26)29(28)42-32(37)25-17-9-3-10-18-25/h1-20,27-30,34H,21-22H2/t27-,28-,29+,30-,34-/m0/s1
InChIKey ZZKZDOZACAZHGB-WZEGCWGUSA-N
Mol Weight 584.6 g/mol
Molecular Formula C34H29FO8
Exact Mass 584.184646 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9UuRtFhvmpb
Name Benzyl-2,3,6-tri-o-benzoyl-4-deoxy-4-fluoro-beta-D-glucopyranoside
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 584.184646049 u
Formula C34H29FO8
InChI InChI=1S/C34H29FO8/c35-28-27(22-39-31(36)24-15-7-2-8-16-24)41-34(40-21-23-13-5-1-6-14-23)30(43-33(38)26-19-11-4-12-20-26)29(28)42-32(37)25-17-9-3-10-18-25/h1-20,27-30,34H,21-22H2/t27-,28-,29+,30-,34-/m0/s1
InChIKey ZZKZDOZACAZHGB-WZEGCWGUSA-N
Molecular Weight 584.596 g/mol
SMILES [C@]1(F)([C@]([C@@]([C@@](OCC2=CC=CC=C2)(O[C@]1(COC(=O)C1=CC=CC=C1)[H])[H])(OC(=O)C1=CC=CC=C1)[H])(OC(=O)C1=CC=CC=C1)[H])[H]