John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=8XJvZC7u8rH SpectraBase Spectrum ID=11a9RSLbXVg

(accessed ).
EPICATECHIN-(2-BETA->O->7,4-BETA->8)-EPICATECHIN-(4-BETA->8)-CATECHIN-(4-BETA->8)-EPICATECHIN
SpectraBase Compound ID 8XJvZC7u8rH
InChI InChI=1S/C60H48O24/c61-23-13-34(71)42-40(14-23)83-60(22-4-8-28(65)33(70)12-22)59(79)50(42)47-41(84-60)18-38(75)46-49(52(78)55(82-58(46)47)21-3-7-27(64)32(69)11-21)45-37(74)17-36(73)44-48(51(77)54(81-57(44)45)20-2-6-26(63)31(68)10-20)43-35(72)16-29(66)24-15-39(76)53(80-56(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,39,48-55,59,61-79H,15H2/t39-,48-,49+,50-,51+,52-,53-,54-,55-,59-,60+/m1/s1
InChIKey ZFOZLANYTWCMKZ-AOFYYDTDSA-N
Mol Weight 1153.0 g/mol
Molecular Formula C60H48O24
Exact Mass 1152.253553 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 11a9RSLbXVg
Name EPICATECHIN-(2-BETA->O->7,4-BETA->8)-EPICATECHIN-(4-BETA->8)-CATECHIN-(4-BETA->8)-EPICATECHIN
Compound Number 2
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H48O24
InChI InChI=1S/C60H48O24/c61-23-13-34(71)42-40(14-23)83-60(22-4-8-28(65)33(70)12-22)59(79)50(42)47-41(84-60)18-38(75)46-49(52(78)55(82-58(46)47)21-3-7-27(64)32(69)11-21)45-37(74)17-36(73)44-48(51(77)54(81-57(44)45)20-2-6-26(63)31(68)10-20)43-35(72)16-29(66)24-15-39(76)53(80-56(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,39,48-55,59,61-79H,15H2/t39-,48-,49+,50-,51+,52-,53-,54-,55-,59-,60+/m1/s1
InChIKey ZFOZLANYTWCMKZ-AOFYYDTDSA-N
Literature Reference Author H.LOU,H.YUAN,B.MA,D.REN,M.JI,S.OKA
Literature Reference Citation PHYTOCHEM.,65,2391(2004)
Literature Reference DOI 10.1016/j.phytochem.2004.06.026
Molecular Weight 1153.027 g/mol
Solvent CD3OD
Source File Reference UWLU32916
SpectraBase Batch ID 58vU2b62KGg