CAS Number
Molecular Formula
C16H18O9
Product format
Neat
Molecular Weight
354.32
Storage
-20°C
Shipping
Room Temperature
API Family
Synonyms
Cryptochlorogenic acid; 4-o-Caffeoyl quinic acid; 4-Cqa; F23DJ84IZ9; UNII-F23DJ84IZ9; (1alpha, 3alpha, 4alpha, 5beta)-4-(3-(3, 4-(Dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1, 3, 5-trihydroxycyclohexanecarboxylic acid; 87099-73-8; Cinnamic acid, 3, 4-dihydroxy-, 4-carboxy-2, 4, 6-trihydroxycyclohexyl ester; Cyclohexanecarboxylic acid, 4-(((2E)-3-(3, 4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-1, 3, 5-trihydroxy-, (1alpha, 3R, 4alpha, 5R)-; Cyclohexanecarboxylic acid, 4-((3-(3, 4-dihydroxyphenyl)-1-oxo-2-1R-propenyl)oxy)-1, 3, 5-trihydroxy-, (1R-(1alpha, 3alpha, 4alpha, 5beta))-; Cyclohexanecarboxylic acid, 4-((3-(3, 4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-1, 3, 5-trihydroxy-, (1alpha, 3R, 4alpha, 5R)-; Cyclohexanecarboxylic acid, 4-((3-(3, 4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1, 3, 5-trihydroxy-, (1alpha, 3R, 4alpha, 5R)-; RefChem:34003; 905-99-7; 4-O-Caffeoylquinic acid; 4-Caffeoylquinic acid; Quinic acid 4-O-caffeate; MFCD10566638; (3R, 5R)-4-[(E)-3-(3, 4-dihydroxyphenyl)prop-2-enoyl]oxy-1, 3 and 5-trihydroxycyclohexane-1-carboxylic acid; CHEMBL4203706
Iupac Name
trans-(3R, 5R)-4-[(E)-3-(3, 4-dihydroxyphenyl)prop-2-enoyl]oxy-1, 3 and 5-trihydroxycyclohexane-1-carboxylic acid
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)/b4-2+/t11-,12-,14?,16?/m1/s1
