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2,3,4,5-Tetra-o-benzoylhex-2-ulopyranose #

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2,3,4,5-Tetra-o-benzoylhex-2-ulopyranose #
SpectraBase Compound ID ElavY9asDky
InChI InChI=1S/C34H28O10/c35-22-34(44-33(39)26-19-11-4-12-20-26)29(43-32(38)25-17-9-3-10-18-25)28(42-31(37)24-15-7-2-8-16-24)27(21-40-34)41-30(36)23-13-5-1-6-14-23/h1-20,27-29,35H,21-22H2
InChIKey ICOUELCLTXGFOY-UHFFFAOYSA-N
Mol Weight 596.6 g/mol
Molecular Formula C34H28O10
Exact Mass 596.168247 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lb60cxr7k5T
Name 2,3,4,5-Tetra-o-benzoylhex-2-ulopyranose #
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 596.168247092 u
Formula C34H28O10
InChI InChI=1S/C34H28O10/c35-22-34(44-33(39)26-19-11-4-12-20-26)29(43-32(38)25-17-9-3-10-18-25)28(42-31(37)24-15-7-2-8-16-24)27(21-40-34)41-30(36)23-13-5-1-6-14-23/h1-20,27-29,35H,21-22H2
InChIKey ICOUELCLTXGFOY-UHFFFAOYSA-N
Molecular Weight 596.588 g/mol
SMILES C1=CC=C(C=C1)C(OC1C(C(COC1(OC(=O)C1=CC=CC=C1)CO)OC(C1=CC=CC=C1)=O)OC(C1=CC=CC=C1)=O)=O