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GALLOCATECHIN-3-O-GALLATE
SpectraBase Compound ID EN0IC8croF6
InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m0/s1
InChIKey WMBWREPUVVBILR-GHTZIAJQSA-N
Mol Weight 458.38 g/mol
Molecular Formula C22H18O11
Exact Mass 458.084911 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GSgsQq2Ad15
Name GALLOCATECHIN-3-O-GALLATE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H18O11
InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m0/s1
InChIKey WMBWREPUVVBILR-GHTZIAJQSA-N
Literature Reference Author A.L.DAVIS,Y.CAI,A.P.DAVIES,J.R.LEWIS
Literature Reference Citation MAGN.RES.CHEM.,34,887(1996)
Literature Reference DOI 10.1002/(sici)1097-458x(199611)34:11<887::aid-omr995>3.0.co;2-u
Molecular Weight 458.378 g/mol
Solvent ACETONE-D6
Source File Reference UWCP427