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3'-O-METHYLEPICATECHIN-5-O-BETA-D-GLUCURONIDE

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3'-O-METHYLEPICATECHIN-5-O-BETA-D-GLUCURONIDE
SpectraBase Compound ID 6kezPScZELj
InChI InChI=1S/C22H24O12/c1-31-15-4-8(2-3-11(15)24)19-12(25)7-10-13(32-19)5-9(23)6-14(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 WMVRRRYTJXAVND-FDRKUGEKSA-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 3DkNhEv2pKE
Name 3'-O-METHYL-(-)-EPICATECHIN-5-O-BETA-GLUCURONIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H24O12
InChI InChI=1S/C22H24O12/c1-31-15-4-8(2-3-11(15)24)19-12(25)7-10-13(32-19)5-9(23)6-14(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 WMVRRRYTJXAVND-FDRKUGEKSA-N
Literature Reference Author K.OKUSHIO,M.SUZUKI,N.MATSUMOTO,F.NANJO,Y.HARA
Literature Reference Citation DRUG.MET.DISP.,27,309(1999)
Molecular Weight 480.425 g/mol
Source File Reference UWLU74465