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EPIGALLOCATECHIN-(4-BETA->8)-EPIGALLOCATECHIN-3-O-GALLATE

View entire compound with spectra: 1 NMR

EPIGALLOCATECHIN-(4-BETA->8)-EPIGALLOCATECHIN-3-O-GALLATE
SpectraBase Compound ID 50QBHy9p1pm
InChI InChI=1S/C37H30O18/c38-14-7-17(40)27-25(8-14)53-35(12-3-21(44)31(49)22(45)4-12)33(51)29(27)28-18(41)10-16(39)15-9-26(54-37(52)13-5-23(46)32(50)24(47)6-13)34(55-36(15)28)11-1-19(42)30(48)20(43)2-11/h1-8,10,26,29,33-35,38-51H,9H2/t26-,29-,33-,34-,35-/m1/s1
InChIKey JSBXKZFDEDBAQA-WUFIRYPCSA-N
Mol Weight 762.6 g/mol
Molecular Formula C37H30O18
Exact Mass 762.143214 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7LRJlvPKUPS
Name EPIGALLOCATECHIN-(4-BETA->8)-EPIGALLOCATECHIN-3-O-GALLATE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H30O18
InChI InChI=1S/C37H30O18/c38-14-7-17(40)27-25(8-14)53-35(12-3-21(44)31(49)22(45)4-12)33(51)29(27)28-18(41)10-16(39)15-9-26(54-37(52)13-5-23(46)32(50)24(47)6-13)34(55-36(15)28)11-1-19(42)30(48)20(43)2-11/h1-8,10,26,29,33-35,38-51H,9H2/t26-,29-,33-,34-,35-/m1/s1
InChIKey JSBXKZFDEDBAQA-WUFIRYPCSA-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 762.634 g/mol
Sample ID 38450
Solvent CD3OD