EPICATECHIN-(4[BETA]-6)-EPICATECHIN-3-O-GALLATE-PERACETATE;ROTATIONAL-ISOMER

SpectraBase Compound ID	DetGb9EswjR
InChI	InChI=1S/C61H54O28/c1-25(62)75-40-21-47(80-30(6)67)53-48(22-40)88-57(38-14-16-43(77-27(3)64)46(18-38)79-29(5)66)60(86-36(12)73)55(53)54-49(81-31(7)68)24-44-41(58(54)84-34(10)71)23-52(56(87-44)37-13-15-42(76-26(2)63)45(17-37)78-28(4)65)89-61(74)39-19-50(82-32(8)69)59(85-35(11)72)51(20-39)83-33(9)70/h13-22,24,52,55-57,60H,23H2,1-12H3/t52-,55-,56-,57-,60-/m1/s1
InChIKey	VDHNRFSOQOYMCT-ZAYPFJLTSA-N Google Search
Mol Weight	1235.1 g/mol
Molecular Formula	C61H54O28
Exact Mass	1234.280161 g/mol

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SpectraBase Spectrum ID	FQv9cDHfBWW
Name	EPICATECHIN-(4[BETA]-6)-EPICATECHIN-3-O-GALLATE-PERACETATE;ROTATIONAL-ISOMER
Compound Number	17
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C61H54O28
InChI	InChI=1S/C61H54O28/c1-25(62)75-40-21-47(80-30(6)67)53-48(22-40)88-57(38-14-16-43(77-27(3)64)46(18-38)79-29(5)66)60(86-36(12)73)55(53)54-49(81-31(7)68)24-44-41(58(54)84-34(10)71)23-52(56(87-44)37-13-15-42(76-26(2)63)45(17-37)78-28(4)65)89-61(74)39-19-50(82-32(8)69)59(85-35(11)72)51(20-39)83-33(9)70/h13-22,24,52,55-57,60H,23H2,1-12H3/t52-,55-,56-,57-,60-/m1/s1
InChIKey	VDHNRFSOQOYMCT-ZAYPFJLTSA-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	1235.083 g/mol
Solvent	CDCl3
Source File Reference	UWMB1232