4-O-Caffeoylquinic Acid
Product Specifications
CAS Number
905-99-7
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; 4-O-Caffeoylquinic acid; Cryptochlorogenic acid; Quinic acid 4-O-caffeate
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1OC(=O)C=Cc2ccc(O)c(O)c2)C(=O)O
Molecular Formula
C16 H18 O9
Molecular Weight
354.31
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
Additionnal Information
IUPAC name: (3R,5R)-4-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,3,5-trihydroxycyclohexane-1-carboxylic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C
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