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EPIGALLOCATECHIN-(4-BETA->8)-4'-O-METHYLGALLOCATECHIN

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EPIGALLOCATECHIN-(4-BETA->8)-4'-O-METHYLGALLOCATECHIN
SpectraBase Compound ID 2ZD0zJKOHPQ
InChI InChI=1S/C31H28O14/c1-43-31-19(38)4-10(5-20(31)39)28-21(40)8-13-14(33)9-16(35)24(30(13)45-28)25-23-15(34)6-12(32)7-22(23)44-29(27(25)42)11-2-17(36)26(41)18(37)3-11/h2-7,9,21,25,27-29,32-42H,8H2,1H3/t21-,25+,27+,28+,29+/m0/s1
InChIKey OBBZIYVNMBINSR-JBOGGYFWSA-N
Mol Weight 624.55 g/mol
Molecular Formula C31H28O14
Exact Mass 624.147906 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lh9ebArDAXA
Name EPIGALLOCATECHIN-(4-BETA->8)-4'-O-METHYLGALLOCATECHIN
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H28O14
InChI InChI=1S/C31H28O14/c1-43-31-19(38)4-10(5-20(31)39)28-21(40)8-13-14(33)9-16(35)24(30(13)45-28)25-23-15(34)6-12(32)7-22(23)44-29(27(25)42)11-2-17(36)26(41)18(37)3-11/h2-7,9,21,25,27-29,32-42H,8H2,1H3/t21-,25+,27+,28+,29+/m0/s1
InChIKey OBBZIYVNMBINSR-JBOGGYFWSA-N
Literature Reference Author C.A.SCHMIDT,R.MURILLO,B.HEINZMANN,S.LAUFER,V.WRAY,I.MERFORT
Literature Reference Citation J.NAT.PROD.,74,1427(2011)
Literature Reference DOI 10.1021/np200158g
Molecular Weight 624.555 g/mol
Sample ID 38451
Solvent CD3OD