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PYROMECONIC_ACID_3-O-BETA-D-GLUCOPYRANOSIDE_6'-(O-4''-HYDROXY-BENZOATE)
SpectraBase Compound ID 66njlfrOrlI
InChI InChI=1S/C18H18O10/c19-10-3-1-9(2-4-10)17(24)26-8-13-14(21)15(22)16(23)18(28-13)27-12-7-25-6-5-11(12)20/h1-7,13-16,18-19,21-23H,8H2/t13-,14-,15+,16-,18-/m1/s1
InChIKey QGBCAQNFBMLWTE-XLKGFZLASA-N
Mol Weight 394.33 g/mol
Molecular Formula C18H18O10
Exact Mass 394.089997 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HGOUhiH9ydT
Name PYROMECONIC_ACID_3-O-BETA-D-GLUCOPYRANOSIDE_6'-(O-4''-HYDROXY-BENZOATE)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H18O10
InChI InChI=1S/C18H18O10/c19-10-3-1-9(2-4-10)17(24)26-8-13-14(21)15(22)16(23)18(28-13)27-12-7-25-6-5-11(12)20/h1-7,13-16,18-19,21-23H,8H2/t13-,14-,15+,16-,18-/m1/s1
InChIKey QGBCAQNFBMLWTE-XLKGFZLASA-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 394.335 g/mol
Solvent CD3OD
Source File Reference UIAP1803