Proanthocyanidin A7
IUPAC 名称
(1R,7S,8R,13S,21R)-7,13-bis(3,4-dihydroxyphenyl)-6,12,14-trioxapentacyclo[11.7.1.0^{2,11}.0^{5,10}.0^{15,20}]henicosa-2(11),3,5(10),15,17,19-hexaene-3,8,17,19,21-pentol
描述
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin 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-(2beta->5,4beta->6)-ent-epicatechin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Epicatechin-(2beta->5,4beta->6)-ent-epicatechin can be found in cocoa bean, which makes epicatechin-(2beta->5,4beta->6)-ent-epicatechin a potential biomarker for the consumption of this food product.
异构
OC1CC2=C3OC4(OC5=C(C(C4O)C3=C(O)C=C2OC1C1=CC(O)=C(O)C=C1)C(O)=CC(O)=C5)C1=CC=C(O)C(O)=C1
InChI标识符
InChI=1S/C30H24O12/c31-13-7-19(36)24-23(8-13)41-30(12-2-4-16(33)18(35)6-12)29(39)26(24)25-20(37)10-22-14(28(25)42-30)9-21(38)27(40-22)11-1-3-15(32)17(34)5-11/h1-8,10,21,26-27,29,31-39H,9H2
键
SHYPVJZSIOEHJY-UHFFFAOYSA-N