EPICATECHIN-3-O-GALLATE-(2[BETA]-7,4[BETA]-8)-EPICATECHIN-(4[BETA]-8)-EPICATECHIN-PERACETATE

SpectraBase Compound ID	AVDsHW0i05B
InChI	InChI=1S/C84H72O38/c1-33(85)102-53-28-62(110-41(9)93)70-65(29-53)121-84(52-19-22-57(105-36(4)88)61(27-52)109-40(8)92)82(120-83(101)51-25-67(113-44(12)96)79(116-47(15)99)68(26-51)114-45(13)97)75(70)73-66(122-84)32-64(112-43(11)95)72-74(81(117-48(16)100)77(119-80(72)73)50-18-21-56(104-35(3)87)60(24-50)108-39(7)91)71-63(111-42(10)94)31-58(106-37(5)89)54-30-69(115-46(14)98)76(118-78(54)71)49-17-20-55(103-34(2)86)59(23-49)107-38(6)90/h17-29,31-32,69,74-77,81-82H,30H2,1-16H3/t69-,74+,75-,76-,77-,81-,82-,84+/m1/s1
InChIKey	JPYNXFRGECADHI-WCXXVJLUSA-N Google Search
Mol Weight	1689.5 g/mol
Molecular Formula	C84H72O38
Exact Mass	1688.370158 g/mol

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SpectraBase Spectrum ID	K4F9pM6NIKJ
Name	EPICATECHIN-3-O-GALLATE-(2[BETA]-7,4[BETA]-8)-EPICATECHIN-(4[BETA]-8)-EPICATECHIN-PERACETATE
Compound Number	25
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C84H72O38
InChI	InChI=1S/C84H72O38/c1-33(85)102-53-28-62(110-41(9)93)70-65(29-53)121-84(52-19-22-57(105-36(4)88)61(27-52)109-40(8)92)82(120-83(101)51-25-67(113-44(12)96)79(116-47(15)99)68(26-51)114-45(13)97)75(70)73-66(122-84)32-64(112-43(11)95)72-74(81(117-48(16)100)77(119-80(72)73)50-18-21-56(104-35(3)87)60(24-50)108-39(7)91)71-63(111-42(10)94)31-58(106-37(5)89)54-30-69(115-46(14)98)76(118-78(54)71)49-17-20-55(103-34(2)86)59(23-49)107-38(6)90/h17-29,31-32,69,74-77,81-82H,30H2,1-16H3/t69-,74+,75-,76-,77-,81-,82-,84+/m1/s1
InChIKey	JPYNXFRGECADHI-WCXXVJLUSA-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	1689.473 g/mol
Solvent	CDCl3
Source File Reference	UWMB1237