Epicatechin-(4beta->6)-catechin 3-gallate
IUPAC 名称
(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-6-yl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
描述
Epicatechin-(4beta->6)-catechin 3-gallate is a member of the class of compounds known as biflavonoids and polyflavonoids. Biflavonoids and polyflavonoids are organic compounds containing at least two flavan/flavone units. These units are usually linked through CC or C-O-C bonds. Some examples include C2-O-C3, C2-O-C4, C3'-C3''', and C6-C8''. Epicatechin-(4beta->6)-catechin 3-gallate is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Epicatechin-(4beta->6)-catechin 3-gallate can be found in common grape, which makes epicatechin-(4beta->6)-catechin 3-gallate a potential biomarker for the consumption of this food product.
异构
OC1CC2=C(O[C@@H]1C1=CC(O)=C(O)C=C1)C=C(O)C([C@@H]1[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC3=CC(O)=CC(O)=C13)C1=CC(O)=C(O)C=C1)=C2O
InChI标识符
InChI=1S/C37H30O16/c38-16-9-22(43)29-28(10-16)52-35(14-2-4-19(40)21(42)6-14)36(53-37(50)15-7-24(45)33(49)25(46)8-15)31(29)30-23(44)12-27-17(32(30)48)11-26(47)34(51-27)13-1-3-18(39)20(41)5-13/h1-10,12,26,31,34-36,38-49H,11H2/t26?,31-,34-,35-,36-/m1/s1
键
TVPXEVSMCUYBHB-OEOLRUAKSA-N