CAS Number
Molecular Formula
C16H18O9
Product format
Neat
Molecular Weight
354.32
Storage
-20°C
Shipping
Room Temperature
API Family
Synonyms
Neochlorogenic acid; 906-33-2; 5-Caffeylquinic acid; (E)-Neochlorogenic Acid; UNII-O4601UER1Z; O4601UER1Z; EINECS 212-997-1; 3-CQA; 3-O-(E)-CAFFEOYLQUINIC ACID; Cyclohexanecarboxylic acid, 3-((3-(3, 4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1, 4, 5-trihydroxy-, (1R-(1alpha, 3alpha, 4alpha, 5beta))-; CYCLOHEXANECARBOXYLIC ACID, 3-(((2E)-3-(3, 4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-1, 4, 5-TRIHYDROXY-, (1R, 3R, 4S, 5R)-; RefChem:43175; NEOCHLOROGENIC ACID (CONSTITUENT OF ST. JOHN'S WORT); 212-997-1; CYCLOHEXANECARBOXYLIC ACID, 3-((3-(3, 4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL)OXY)-1, 4, 5-TRIHYDROXY-, (1R-(1alpha, 3alpha(E), 4alpha, 5beta))-; 5-O-Caffeoylquinic acid; Neochlorogenate; 5-O-(trans-3, 4-Dihydroxycinnamoyl)-D-quinic acid; (1R, 3R, 4S, 5R)-3-[(E)-3-(3, 4-dihydroxyphenyl)prop-2-enoyl]oxy-1, 4 and 5-trihydroxycyclohexane-1-carboxylic acid; 5-Caffeoylquinic acid
Iupac Name
(1R, 3R, 4S, 5R)-3-[(E)-3-(3, 4-dihydroxyphenyl)prop-2-enoyl]oxy-1, 4 and 5-trihydroxycyclohexane-1-carboxylic acid
InChI
InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1
