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4'-O-METHYLGALLOCATECHIN-3-O-FERULATE
SpectraBase Compound ID BxHHn9cAa7i
InChI InChI=1S/C26H24O10/c1-33-22-7-13(3-5-17(22)28)4-6-24(32)35-23-12-16-18(29)10-15(27)11-21(16)36-25(23)14-8-19(30)26(34-2)20(31)9-14/h3-11,23,25,27-31H,12H2,1-2H3/b6-4+/t23-,25-/m1/s1
InChIKey XDTJJIJEOFWRLC-JLRMUMSLSA-N
Mol Weight 496.47 g/mol
Molecular Formula C26H24O10
Exact Mass 496.136947 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GnQtNUflDs7
Name 4'-O-METHYLGALLOCATECHIN-3-O-FERULATE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H24O10
InChI InChI=1S/C26H24O10/c1-33-22-7-13(3-5-17(22)28)4-6-24(32)35-23-12-16-18(29)10-15(27)11-21(16)36-25(23)14-8-19(30)26(34-2)20(31)9-14/h3-11,23,25,27-31H,12H2,1-2H3/b6-4+/t23-,25-/m1/s1
InChIKey XDTJJIJEOFWRLC-JLRMUMSLSA-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 496.471 g/mol
Sample ID 37195
Solvent CD3OD