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DEMETHOXY-CENTAUREIDIN-7-O-BETA-D-GALACTURONOPYRANOSIDE;5,7,3'-TRIHYDROXY-6,4'-DIMETHOXY-FLAVONE-7-O-BETA-D-GALACTURONOPYRANOSIDE
SpectraBase Compound ID FeEbeJpCKv7
InChI InChI=1S/C23H22O13/c1-32-11-4-3-8(5-9(11)24)12-6-10(25)15-13(34-12)7-14(20(33-2)16(15)26)35-23-19(29)17(27)18(28)21(36-23)22(30)31/h3-7,17-19,21,23-24,26-29H,1-2H3,(H,30,31)/t17-,18+,19+,21-,23+/m0/s1
InChIKey MIZRWCVHCYQBHN-KQKYNLKISA-N
Mol Weight 506.42 g/mol
Molecular Formula C23H22O13
Exact Mass 506.106041 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HHJdOKkJdpF
Name DEMETHOXY-CENTAUREIDIN-7-O-BETA-D-GALACTURONOPYRANOSIDE;5,7,3'-TRIHYDROXY-6,4'-DIMETHOXY-FLAVONE-7-O-BETA-D-GALACTURONOPYRANOSIDE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H22O13
InChI InChI=1S/C23H22O13/c1-32-11-4-3-8(5-9(11)24)12-6-10(25)15-13(34-12)7-14(20(33-2)16(15)26)35-23-19(29)17(27)18(28)21(36-23)22(30)31/h3-7,17-19,21,23-24,26-29H,1-2H3,(H,30,31)/t17-,18+,19+,21-,23+/m0/s1
InChIKey MIZRWCVHCYQBHN-KQKYNLKISA-N
Literature Reference Author M.N.SAMY,H.E.KHALIL,S.SUGIMOTO,K.MATSUNAMI,H.OTSUKA,M.S.KAME L
Literature Reference Citation CHEM.PHARM.BULL.,59,725(2011)
Literature Reference DOI 10.1248/cpb.59.725
Molecular Weight 506.420 g/mol
Source File Reference UWIR3173