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(-)-EPICATECHIN-(4-BETA->8)-(-)-4'-METHYLEPIGALLOCATECHIN

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(-)-EPICATECHIN-(4-BETA->8)-(-)-4'-METHYLEPIGALLOCATECHIN
SpectraBase Compound ID Io8P06wV9PC
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-WQJHFXEDSA-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 DKWkKIsIYxS
Name (-)-EPICATECHIN-(4-BETA->8)-(-)-4'-METHYLEPIGALLOCATECHIN
Compound Number 6
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-WQJHFXEDSA-N
Literature Reference Author G.HUSSEIN,N.NAKAMURA,M.R.MESELHY,M.HATTORI
Literature Reference Citation PHYTOCHEM.,50,689(1999)
Literature Reference DOI 10.1016/S0031-9422(98)00571-8
Molecular Weight 608.556 g/mol
Solvent CD3OD
Source File Reference UWVN1416