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4'-O-METHYLEPICATECHIN-3-O-GALLATE
SpectraBase Compound ID HLTUMNO0ioO
InChI InChI=1S/C23H20O10/c1-31-18-3-2-10(4-15(18)26)22-20(9-13-14(25)7-12(24)8-19(13)32-22)33-23(30)11-5-16(27)21(29)17(28)6-11/h2-8,20,22,24-29H,9H2,1H3/t20-,22-/m1/s1
InChIKey CEXLPAFKWSVHSK-IFMALSPDSA-N
Mol Weight 456.4 g/mol
Molecular Formula C23H20O10
Exact Mass 456.105647 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1APA4qAmfj1
Name 4'-O-METHYLEPICATECHIN-3-O-GALLATE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H20O10
InChI InChI=1S/C23H20O10/c1-31-18-3-2-10(4-15(18)26)22-20(9-13-14(25)7-12(24)8-19(13)32-22)33-23(30)11-5-16(27)21(29)17(28)6-11/h2-8,20,22,24-29H,9H2,1H3/t20-,22-/m1/s1
InChIKey CEXLPAFKWSVHSK-IFMALSPDSA-N
Literature Reference Author C.A.SCHMIDT,R.MURILLO,T.BRUHN,G.BRINGMANN,M.GOETTERT,B.HEINZ MANN,V.BRECHT,S.A.LA
Literature Reference Citation J.NAT.PROD.,73,2035(2010)
Literature Reference DOI 10.1021/np100523s
Molecular Weight 456.406 g/mol
Sample ID 37193
Solvent CD3OD