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4'-O-METHYLEPICATECHIN-7-O-BETA-D-GLUCURONIDE
SpectraBase Compound ID B4uO13wyf5x
InChI InChI=1S/C22H24O12/c1-31-14-3-2-8(4-12(14)24)19-13(25)7-10-11(23)5-9(6-15(10)33-19)32-22-18(28)16(26)17(27)20(34-22)21(29)30/h2-6,13,16-20,22-28H,7H2,1H3,(H,29,30)/t13-,16-,17-,18+,19-,20-,22+/m1/s1
InChIKey CJPIUMOCTBARLM-WEPPZBLFSA-N
Mol Weight 480.42 g/mol
Molecular Formula C22H24O12
Exact Mass 480.126776 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kku2MfqcFk4
Name 4'-O-METHYLEPICATECHIN-7-O-BETA-D-GLUCURONIDE
Compound Number 10G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H24O12
InChI InChI=1S/C22H24O12/c1-31-14-3-2-8(4-12(14)24)19-13(25)7-10-11(23)5-9(6-15(10)33-19)32-22-18(28)16(26)17(27)20(34-22)21(29)30/h2-6,13,16-20,22-28H,7H2,1H3,(H,29,30)/t13-,16-,17-,18+,19-,20-,22+/m1/s1
InChIKey CJPIUMOCTBARLM-WEPPZBLFSA-N
Literature Reference Author M.ZHANG,G.E.JAGDMANN,M.VANZANDT,R.SHEELER,P.BECKETT,H.SCHROE TER
Literature Reference Citation J.NAT.PROD.,76,157(2013)
Literature Reference DOI 10.1021/np300568m
Molecular Weight 480.425 g/mol
Sample ID 42042
Solvent ACETONE-D6