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Phenyl pentaacetyl-D-glucoheptuloside

View entire compound with spectra: 1 NMR, and 1 FTIR

Phenyl pentaacetyl-D-glucoheptuloside
SpectraBase Compound ID KwApdktV2cl
InChI InChI=1S/C23H28O12/c1-13(24)29-11-19-20(31-15(3)26)21(32-16(4)27)22(33-17(5)28)23(35-19,12-30-14(2)25)34-18-9-7-6-8-10-18/h6-10,19-22H,11-12H2,1-5H3/t19-,20-,21+,22-,23+/m1/s1
InChIKey QPQWUVYSQQIFGO-ZQGJOIPISA-N
Mol Weight 496.47 g/mol
Molecular Formula C23H28O12
Exact Mass 496.158076 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Dm07vZEIwX
Name Phenyl pentaacetyl-D-glucoheptuloside
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 496.158076330 u
Formula C23H28O12
InChI InChI=1S/C23H28O12/c1-13(24)29-11-19-20(31-15(3)26)21(32-16(4)27)22(33-17(5)28)23(35-19,12-30-14(2)25)34-18-9-7-6-8-10-18/h6-10,19-22H,11-12H2,1-5H3/t19-,20-,21+,22-,23+/m1/s1
InChIKey QPQWUVYSQQIFGO-ZQGJOIPISA-N
Molecular Weight 496.465 g/mol
SMILES [C@@]1([C@](O[C@]([C@@]([C@]1(OC(C)=O)[H])(OC(=O)C)[H])(COC(=O)C)OC1=CC=CC=C1)(COC(=O)C)[H])(OC(=O)C)[H]