IUPAC 名称
2-[23-(carboxymethyl)-7,8,9,12,13,14,26,27,28,31,32,33,42-tridecahydroxy-4,17,22,36,40-pentaoxo-3,18,21,37,39-pentaoxaoctacyclo[23.13.3.1³⁴,³⁸.0²,²⁰.0⁵,¹⁰.0¹¹,¹⁶.0²⁹,⁴¹.0³⁰,³⁵]dotetraconta-5,7,9,11,13,15,25(41),26,28,30,32,34-dodecaen-24-yl]-2-hydroxyacetic acid
描述
Valolaginic acid, also known as valolaginate, is a member of the class of compounds known as hydrolyzable tannins. Hydrolyzable tannins are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. Valolaginic acid is soluble (in water) and a moderately acidic compound (based on its pKa). Valolaginic acid can be found in guava, which makes valolaginic acid a potential biomarker for the consumption of this food product.
InChI标识符
InChI=1S/C41H30O28/c42-8-1-5-12(23(48)21(8)46)13-6(2-9(43)22(47)24(13)49)39(62)67-33-10(4-65-37(5)60)66-38(61)7(3-11(44)45)14(30(55)36(58)59)15-18-16(26(51)31(56)25(15)50)17-19-20(28(53)32(57)27(17)52)29(54)34(68-41(19)64)35(33)69-40(18)63/h1-2,7,10,14,29-30,33-35,42-43,46-57H,3-4H2,(H,44,45)(H,58,59)