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EPIAFZELECHIN-(4[BETA]-8)-EPICATECHIN-PERACETATE;2-ROTATIONAL-ISOMERS;MIXTURE

View entire compound with spectra: 1 NMR

EPIAFZELECHIN-(4[BETA]-8)-EPICATECHIN-PERACETATE;2-ROTATIONAL-ISOMERS;MIXTURE
SpectraBase Compound ID KRwpF2VcF51
InChI InChI=1S/2C48H44O20/c2*1-21(49)58-32-13-10-30(11-14-32)46-48(66-29(9)57)44(42-38(63-26(6)54)17-33(59-22(2)50)18-39(42)67-46)43-40(64-27(7)55)20-36(61-24(4)52)34-19-41(65-28(8)56)45(68-47(34)43)31-12-15-35(60-23(3)51)37(16-31)62-25(5)53/h2*10-18,20,41,44-46,48H,19H2,1-9H3/t2*41-,44-,45-,46-,48-/m11/s1
InChIKey LSQSMSNOGVMNJC-YFDKPKDFSA-N
Mol Weight 1881.7 g/mol
Molecular Formula C96H88O40
Exact Mass 1880.485188 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KguNk9uRoDk
Name EPIAFZELECHIN-(4[BETA]-8)-EPICATECHIN-PERACETATE;2-ROTATIONAL-ISOMERS;MIXTURE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C96H88O40
InChI InChI=1S/2C48H44O20/c2*1-21(49)58-32-13-10-30(11-14-32)46-48(66-29(9)57)44(42-38(63-26(6)54)17-33(59-22(2)50)18-39(42)67-46)43-40(64-27(7)55)20-36(61-24(4)52)34-19-41(65-28(8)56)45(68-47(34)43)31-12-15-35(60-23(3)51)37(16-31)62-25(5)53/h2*10-18,20,41,44-46,48H,19H2,1-9H3/t2*41-,44-,45-,46-,48-/m11/s1
InChIKey LSQSMSNOGVMNJC-YFDKPKDFSA-N
Literature Reference Author J.BICKER,F.PETEREIT,A.HENSEL
Literature Reference Citation FITOTERAPIA,80,483(2009)
Literature Reference DOI 10.1016/j.fitote.2009.08.015
Molecular Weight 1881.731 g/mol
Solvent CDCl3
Source File Reference UWMB1229