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4-O-Caffeoylquinic Acid

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For Research Use Only | Not For Clinical Use
CATAPS905997
CAS905-99-7
Structure
SynonymsCyclohexanecarboxylic acid, 4-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,3,5-trihydroxy-, (1alpha,3R,4alpha,5R)-, Cryptochlorogenic acid, (1alpha,3R,4alpha,5R)-4-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,3,5-trihydroxycyclohexanecarboxylic acid, 4-Caffeoylquinic acid, 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)]-, 4-O-Caffeoylquinic acid, Quinic acid 4-O-caffeate, Cinnamic acid, 3,4-dihydroxy-, 4-carboxy-2,4,6-trihydroxycyclohexyl ester (8CI)
IUPAC Name(3R,5R)-4-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,3,5-trihydroxycyclohexane-1-carboxylic acid
Molecular Weight354.31
Molecular FormulaC16H18O9
Canonical SMILESO[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1OC(=O)C=Cc2ccc(O)c(O)c2)C(=O)O
InChIInChI=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
Accurate Mass354.0951
FormatNeat
ShippingRoom Temperature
Size10MG
Storage Conditions-20°C Freezer
SubcategoryAntibiotics, Pharmaceutical
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