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2,7-Dimethyl-8-hydroxy-4(E),6(E)-octadienoic acid, B-D-glucopyranoside pentaacetate
SpectraBase Compound ID IPOBajMlabW
InChI InChI=1S/C26H36O13/c1-14(12-33-16(3)27)10-8-9-11-15(2)25(32)39-26-24(37-20(7)31)23(36-19(6)30)22(35-18(5)29)21(38-26)13-34-17(4)28/h8-10,15,21-24,26H,11-13H2,1-7H3/b9-8+,14-10+
InChIKey WLXDMWYJPNTBID-ANVLWLQNSA-N
Mol Weight 556.6 g/mol
Molecular Formula C26H36O13
Exact Mass 556.215591 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4zOBSZDQv2f
Name 2,7-Dimethyl-8-hydroxy-4(E),6(E)-octadienoic acid, B-D-glucopyranoside pentaacetate
Comments 100 MHZ SPECTRUM, ACETATE SIGNALS AT 20.48-20.70 PPM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C26H36O13
InChI InChI=1S/C26H36O13/c1-14(12-33-16(3)27)10-8-9-11-15(2)25(32)39-26-24(37-20(7)31)23(36-19(6)30)22(35-18(5)29)21(38-26)13-34-17(4)28/h8-10,15,21-24,26H,11-13H2,1-7H3/b9-8+,14-10+
InChIKey WLXDMWYJPNTBID-ANVLWLQNSA-N
Instrument Name see comment
Literature Reference P. Winterhalter, A. Lutz, P. Schreier, Tetrahedron Lett. 3669 (1991).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3