For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
PYROMECONIC_ACID_3-O-BETA-D-GLUCOPYRANOSIDE_6'-(O-4''-HYDROXY-3'',5''-DIMETHOXYBENZOATE)
SpectraBase Compound ID FzyBq3mVsXt
InChI InChI=1S/C20H22O12/c1-27-11-5-9(6-12(28-2)15(11)22)19(26)30-8-14-16(23)17(24)18(25)20(32-14)31-13-7-29-4-3-10(13)21/h3-7,14,16-18,20,22-25H,8H2,1-2H3/t14-,16-,17+,18-,20-/m1/s1
InChIKey QIKQEKDJKPEDME-UVNCQSPWSA-N
Mol Weight 454.38 g/mol
Molecular Formula C20H22O12
Exact Mass 454.111126 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4BGv0jvMuLO
Name PYROMECONIC_ACID_3-O-BETA-D-GLUCOPYRANOSIDE_6'-(O-4''-HYDROXY-3'',5''-DIMETHOXYBENZOATE)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H22O12
InChI InChI=1S/C20H22O12/c1-27-11-5-9(6-12(28-2)15(11)22)19(26)30-8-14-16(23)17(24)18(25)20(32-14)31-13-7-29-4-3-10(13)21/h3-7,14,16-18,20,22-25H,8H2,1-2H3/t14-,16-,17+,18-,20-/m1/s1
InChIKey QIKQEKDJKPEDME-UVNCQSPWSA-N
Literature Reference Author A.AHMED,A.MOHAMED,O.TZAKOU,A.GANI,A.YANNITSAROS,M.EL-MAGHRAB Y,K.ZELLER
Literature Reference Citation PLANTA.MED.,68,664(2002)
Literature Reference DOI 10.1055/s-2002-32895
Molecular Weight 454.387 g/mol
Solvent CD3OD
Source File Reference UIAP1801