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Pentaacetyl-o-(o-cresyl) D-glucoheptuloside

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

Pentaacetyl-o-(o-cresyl) D-glucoheptuloside
SpectraBase Compound ID FrYKLh1Wtww
InChI InChI=1S/C24H30O12/c1-13-9-7-8-10-19(13)35-24(12-31-15(3)26)23(34-18(6)29)22(33-17(5)28)21(32-16(4)27)20(36-24)11-30-14(2)25/h7-10,20-23H,11-12H2,1-6H3/t20-,21-,22+,23-,24+/m1/s1
InChIKey SLESGRBSQHIKPP-SJSRKZJXSA-N
Mol Weight 510.49 g/mol
Molecular Formula C24H30O12
Exact Mass 510.173726 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Go1PhN00VZS
Name Pentaacetyl-o-(o-cresyl) D-glucoheptuloside
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 510.173726394 u
Formula C24H30O12
InChI InChI=1S/C24H30O12/c1-13-9-7-8-10-19(13)35-24(12-31-15(3)26)23(34-18(6)29)22(33-17(5)28)21(32-16(4)27)20(36-24)11-30-14(2)25/h7-10,20-23H,11-12H2,1-6H3/t20-,21-,22+,23-,24+/m1/s1
InChIKey SLESGRBSQHIKPP-SJSRKZJXSA-N
Molecular Weight 510.492 g/mol
SMILES [C@@]1([C@](O[C@]([C@@]([C@]1(OC(C)=O)[H])(OC(C)=O)[H])(COC(=O)C)OC1=CC=CC=C1C)(COC(=O)C)[H])(OC(C)=O)[H]