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1,3,4,5-Tetra-o-benzoylhex-2-ulopyranose #
SpectraBase Compound ID 9ujzBuX28nW
InChI InChI=1S/C34H28O10/c35-30(23-13-5-1-6-14-23)40-22-34(39)29(44-33(38)26-19-11-4-12-20-26)28(43-32(37)25-17-9-3-10-18-25)27(21-41-34)42-31(36)24-15-7-2-8-16-24/h1-20,27-29,39H,21-22H2/t27-,28-,29+,34-/m1/s1
InChIKey SCEVOPPMGXOQLM-DYKCOLQBSA-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 HWBuBjrCtJ9
Name 1,3,4,5-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/c35-30(23-13-5-1-6-14-23)40-22-34(39)29(44-33(38)26-19-11-4-12-20-26)28(43-32(37)25-17-9-3-10-18-25)27(21-41-34)42-31(36)24-15-7-2-8-16-24/h1-20,27-29,39H,21-22H2/t27-,28-,29+,34-/m1/s1
InChIKey SCEVOPPMGXOQLM-DYKCOLQBSA-N
Molecular Weight 596.588 g/mol
SMILES [C@@]1(CO[C@]([C@]([C@@]1(OC(=O)C=1C=CC=CC1)[H])(OC(=O)C1=CC=CC=C1)[H])(O)COC(=O)C1=CC=CC=C1)(OC(=O)C1=CC=CC=C1)[H]