Epigallocatechin-(4beta->8)-epicatechin 3,3'-digallate
IUPAC 名称
(2R,3R,4R)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-8-yl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
描述
Epigallocatechin-(4beta->8)-epicatechin 3,3'-digallate 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''. Epigallocatechin-(4beta->8)-epicatechin 3,3'-digallate is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Epigallocatechin-(4beta->8)-epicatechin 3,3'-digallate can be found in tea, which makes epigallocatechin-(4beta->8)-epicatechin 3,3'-digallate a potential biomarker for the consumption of this food product.
异构
OC1=CC2=C([C@@H]([C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](O2)C2=CC(O)=C(O)C(O)=C2)C2=C(O)C=C(O)C3=C2O[C@@H]([C@@H](C3)OC(=O)C2=CC(O)=C(O)C(O)=C2)C2=CC=C(O)C(O)=C2)C(O)=C1
InChI标识符
InChI=1S/C44H34O21/c45-18-10-23(49)33-31(11-18)62-40(15-4-25(51)36(57)26(52)5-15)42(65-44(61)17-8-29(55)38(59)30(56)9-17)35(33)34-24(50)13-21(47)19-12-32(63-43(60)16-6-27(53)37(58)28(54)7-16)39(64-41(19)34)14-1-2-20(46)22(48)3-14/h1-11,13,32,35,39-40,42,45-59H,12H2/t32-,35-,39-,40-,42-/m1/s1
键
AKLZJACFWIKHEV-WZPNJOEPSA-N