John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=AuzBVZ1BEJW SpectraBase Spectrum ID=1JR51jxds31

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4'-O-METHYLEPICATECHIN-5-O-BETA-D-GLUCURONIDE
SpectraBase Compound ID AuzBVZ1BEJW
InChI InChI=1S/C22H24O12/c1-31-13-3-2-8(4-11(13)24)19-12(25)7-10-14(32-19)5-9(23)6-15(10)33-22-18(28)16(26)17(27)20(34-22)21(29)30/h2-6,12,16-20,22-28H,7H2,1H3,(H,29,30)/t12-,16+,17+,18-,19-,20+,22-/m1/s1
InChIKey FJHGPEXCGXLNNU-FDRKUGEKSA-N
Mol Weight 480.42 g/mol
Molecular Formula C22H24O12
Exact Mass 480.126777 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1JR51jxds31
Name 4'-O-METHYLEPICATECHIN-5-O-BETA-D-GLUCURONIDE
Compound Number 9G
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H24O12
InChI InChI=1S/C22H24O12/c1-31-13-3-2-8(4-11(13)24)19-12(25)7-10-14(32-19)5-9(23)6-15(10)33-22-18(28)16(26)17(27)20(34-22)21(29)30/h2-6,12,16-20,22-28H,7H2,1H3,(H,29,30)/t12-,16+,17+,18-,19-,20+,22-/m1/s1
InChIKey FJHGPEXCGXLNNU-FDRKUGEKSA-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 42041
Solvent ACETONE-D6
SpectraBase Batch ID 15cj2Rhqr4E