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

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EPICATECHIN-(4-BETA->8)-4'-O-METHYLGALLOCATECHIN
SpectraBase Compound ID 7lm2eRMaAl1
InChI InChI=1S/C31H28O13/c1-42-31-20(38)5-12(6-21(31)39)28-22(40)9-14-16(34)10-19(37)25(30(14)44-28)26-24-18(36)7-13(32)8-23(24)43-29(27(26)41)11-2-3-15(33)17(35)4-11/h2-8,10,22,26-29,32-41H,9H2,1H3/t22-,26+,27+,28+,29+/m0/s1
InChIKey ADKHKBZKHGJXDZ-UKWJTHFESA-N
Mol Weight 608.55 g/mol
Molecular Formula C31H28O13
Exact Mass 608.152991 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lk9oj1u0RCa
Name EPICATECHIN-(4-BETA->8)-4'-O-METHYLGALLOCATECHIN
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H28O13
InChI InChI=1S/C31H28O13/c1-42-31-20(38)5-12(6-21(31)39)28-22(40)9-14-16(34)10-19(37)25(30(14)44-28)26-24-18(36)7-13(32)8-23(24)43-29(27(26)41)11-2-3-15(33)17(35)4-11/h2-8,10,22,26-29,32-41H,9H2,1H3/t22-,26+,27+,28+,29+/m0/s1
InChIKey ADKHKBZKHGJXDZ-UKWJTHFESA-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 608.556 g/mol
Sample ID 38452
Solvent CD3OD