EPICATECHIN-(2[BETA]-7,4[BETA]-8)-EPICATECHIN-(4[BETA]-8)-EPICATECHIN-PERACETATE;ROTATIONAL-ISOMER

SpectraBase Compound ID	2fsuOxlkT5U
InChI	InChI=1S/C73H64O32/c1-29(74)88-46-24-55(96-37(9)82)61-58(25-46)104-73(45-17-20-50(91-32(4)77)54(23-45)95-36(8)81)72(101-42(14)87)66(61)64-59(105-73)28-57(98-39(11)84)63-65(71(100-41(13)86)68(103-70(63)64)44-16-19-49(90-31(3)76)53(22-44)94-35(7)80)62-56(97-38(10)83)27-51(92-33(5)78)47-26-60(99-40(12)85)67(102-69(47)62)43-15-18-48(89-30(2)75)52(21-43)93-34(6)79/h15-25,27-28,60,65-68,71-72H,26H2,1-14H3/t60-,65+,66-,67-,68-,71-,72-,73+/m1/s1
InChIKey	BZAHFCZNLYJLLD-ZSKZBEDHSA-N Google Search
Mol Weight	1453.3 g/mol
Molecular Formula	C73H64O32
Exact Mass	1452.33807 g/mol

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SpectraBase Spectrum ID	4yTtAo8JJtc
Name	EPICATECHIN-(2[BETA]-7,4[BETA]-8)-EPICATECHIN-(4[BETA]-8)-EPICATECHIN-PERACETATE;ROTATIONAL-ISOMER
Compound Number	23
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C73H64O32
InChI	InChI=1S/C73H64O32/c1-29(74)88-46-24-55(96-37(9)82)61-58(25-46)104-73(45-17-20-50(91-32(4)77)54(23-45)95-36(8)81)72(101-42(14)87)66(61)64-59(105-73)28-57(98-39(11)84)63-65(71(100-41(13)86)68(103-70(63)64)44-16-19-49(90-31(3)76)53(22-44)94-35(7)80)62-56(97-38(10)83)27-51(92-33(5)78)47-26-60(99-40(12)85)67(102-69(47)62)43-15-18-48(89-30(2)75)52(21-43)93-34(6)79/h15-25,27-28,60,65-68,71-72H,26H2,1-14H3/t60-,65+,66-,67-,68-,71-,72-,73+/m1/s1
InChIKey	BZAHFCZNLYJLLD-ZSKZBEDHSA-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	1453.292 g/mol
Solvent	CDCl3
Source File Reference	UWIR18006