1,3-Dicaffeoylquinic Acid Chemical Identity
1,3-Dicaffeoylquinic acid has the molecular formula C25H24O12 and a molecular weight of 516.4. A quinic acid core, a cyclohexane carboxylic acid with four hydroxyl groups, carries two caffeoyl groups, each a caffeic acid ester with its catechol ring and trans double bond. In 1,3-dicaffeoylquinic acid the esters sit on the C1 and C3 positions, which means that one of them is attached to the tertiary carbon that also bears the carboxyl group. The other four common isomers place the two caffeoyl groups at 1,5, 3,4, 3,5 and 4,5.
All five share the formula and weight, so mass cannot identify 1,3-dicaffeoylquinic acid, and identity rests on the locants, the retention time against a reference standard and the ultraviolet and mass spectra. The natural source is the leaf of Cynara scolymus L., where caffeoylquinic acids sit beside the bitter sesquiterpene lactone cynaropicrin and flavonoids. Artichoke is supplied in several forms: Artichoke Extract 0.5–5% Cynarin, the 10:1 Artichoke Extract Powder and the milled Artichoke Leaf Powder. The closest relative of 1,3-dicaffeoylquinic acid among the pure compounds is the positional isomer 1,5-Dicaffeoylquinic Acid 98%.
Trade names add to the difficulty. The name cynarin usually means 1,3-dicaffeoylquinic acid, yet product listings sometimes use it for the 1,5 isomer, so the locants are given beside the common name here.












