John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=1260fsIJ0C2 SpectraBase Spectrum ID=EuKwn4JE68g

(accessed ).
EGCG-4''-GLUC;(-)-EPIGALLOCATECHIN-GALLATE-4''-GLUCURONATE
SpectraBase Compound ID 1260fsIJ0C2
InChI InChI=1S/C28H26O17/c29-10-5-12(30)11-7-18(23(42-17(11)6-10)8-1-13(31)19(35)14(32)2-8)43-27(41)9-3-15(33)24(16(34)4-9)44-28-22(38)20(36)21(37)25(45-28)26(39)40/h1-6,18,20-23,25,28-38H,7H2,(H,39,40)/t18-,20+,21+,22-,23-,25+,28-/m1/s1
InChIKey HDMYEWZELMJYIX-XNLIHRAISA-N
Mol Weight 634.5 g/mol
Molecular Formula C28H26O17
Exact Mass 634.117 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EuKwn4JE68g
Name EGCG-4''-GLUC;(-)-EPIGALLOCATECHIN-GALLATE-4''-GLUCURONATE
Compound Number P4''
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H26O17
InChI InChI=1S/C28H26O17/c29-10-5-12(30)11-7-18(23(42-17(11)6-10)8-1-13(31)19(35)14(32)2-8)43-27(41)9-3-15(33)24(16(34)4-9)44-28-22(38)20(36)21(37)25(45-28)26(39)40/h1-6,18,20-23,25,28-38H,7H2,(H,39,40)/t18-,20+,21+,22-,23-,25+,28-/m1/s1
InChIKey HDMYEWZELMJYIX-XNLIHRAISA-N
Literature Reference Author H.LU,X.MENG,C.LI,S.SANG,C.PATTEN,S.SHENG,J.HONG,N.BAI,B.WINN IK,C.T.HO,C.S.YANG
Literature Reference Citation DRUG.MET.DISP.,31,452(2003)
Literature Reference DOI 10.1124/dmd.31.4.452
Molecular Weight 634.504 g/mol
Source File Reference UWLU74301
SpectraBase Batch ID 4kuVinXgv2A