4-O-Caffeoylquinic Acid

CAS: 905-99-7

Ref. TR-C082500

Product Information

• Name: 4-O-Caffeoylquinic Acid
• Synonyms: Cyclohexanecarboxylic acid, 4-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,3,5-trihydroxy-, (1alpha,3R,4alpha,5R)-, Cinnamic acid, 3,4-dihydroxy-, 4-carboxy-2,4,6-trihydroxycyclohexyl ester (8CI), Cyclohexanecarboxylic acid, 4-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,3,5-trihydroxy-, (1alpha,3R,4alpha,5R)- (9CI), Cyclohexanecarboxylic acid, 4-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,3,5-trihydroxy-, [1R-(1alpha,3alpha,4alpha,5beta)]-, (1alpha,3R,4alpha,5R)-4-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,3,5-trihydroxycyclohexanecarboxylic acid, 4-Caffeoylquinic acid, Cryptochlorogenic acid
• Brand: TRC
• Description: Stability HygroscopicApplications 4-O-Caffeoylquinic Acid is used as an antibiotic, and antioxidant agent.References Xu, H. et al.: Food Sci. Biotech., 23, 2013 (2014)

Chemical properties

• Molecular weight: 354.31
• Formula: C₁₆H₁₈O₉
• Color/Form: Neat
• InChI: InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/t11-,12-,14-,16+/m1/s1
• InChI key: InChIKey=GYFFKZTYYAFCTR-JUHZACGLSA-N
• SMILES: O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O