John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=CsW0DEaKSW4 SpectraBase Spectrum ID=E4xMj8GClol

(accessed ).
(MALONYL-6''-BETA-D-GLUCOSIDE)-3-QUERCETOL
SpectraBase Compound ID CsW0DEaKSW4
InChI InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1
InChIKey NBQPHANHNTWDML-UJKBSQBPSA-N
Mol Weight 550.43 g/mol
Molecular Formula C24H22O15
Exact Mass 550.09587 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E4xMj8GClol
Name 3-[6-O-(2-CARBOXYETHYL)-BETA-D-GLUCOPYRANOSYLOXY]-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-4H-1-BENZOPYRAN-4-ONE
Compound Number 23
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H22O15
InChI InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1
InChIKey NBQPHANHNTWDML-UJKBSQBPSA-N
Literature Reference Author B.DANIELI,A.BERTARIO,G.CARREA,B.REDIGOLO,F.SECUNDO,S.RIVA
Literature Reference Citation HELV.CHIM.ACTA,76,2981(1993)
Literature Reference DOI 10.1002/hlca.19930760823
Molecular Weight 550.430 g/mol
Solvent DMSO-D6
Source File Reference UWSK2274
SpectraBase Batch ID 9K6pgeUrUK2