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Neochlorogenic Acid (906-33-2) C16H18O9

Product Name: Pharmaceuticals Grade Neochlorogenic acid
CAS No.: 906-33-2
MF: C16H18O9
MW: 354.31
Purity: 99% or as customer requested
Product Categories: chemical reagent; pharmaceutical intermediate; phytochemical;
Test method: HPLC

 
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Neochlorogenic Acid, also called as Trans-5-O-caffeoyl-D-quinic acid, which is a cinnamate ester obtained by formal condensation of the carboxy group of trans-caffeic acid with the 5-hydroxy group of quinic acid. It has a role as a plant metabolite. It is a cyclitol carboxylic acid and a cinnamate ester. It derives from a (-)-quinic acid and a trans-caffeic acid. It is a conjugate acid of a trans-5-O-caffeoyl-D-quinate.

Neochlorogenic Acid Basic information

         

Product Name: Neochlorogenic acid
Synonyms: [1R-(1alpha,3alpha,4alpha,5beta)]-3-[[3-(3,4-dihydroxyphenyl)-1-oxoallyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid;Neochlorogenic acid;5-O-CAFFEOYLQUINICACID;(1R,3R,4S,5R)-5-[(E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxy-1,3,4-trihydroxycyclohexane-1-carboxylic acid;5-Caffeoylquinic acid;trans-5-O-Caffeoyl-D-quinate;Neochlorogenic acid,5-Caffeoylquinic acid,trans-5-O-Caffeoyl-D-quinate;(1R)-3β-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1β,4β,5α-trihydroxycyclohexane-1α-carboxylic acid
CAS: 906-33-2
MF: C16H18O9
MW: 354.31
EINECS: 212-997-1
Product Categories: chemical reagent; pharmaceutical intermediate; phytochemical; reference standards from Chinese medicinal herbs (TCM); standardized herbal extract
Mol File: 906-33-2.mol

5 Caffeoylquinic Acid Chemical Structure

Neochlorogenic acid            

5 O CAFFEOYLQUINICACID Chemical Properties

           

Melting point  204-206 °C (decomp)
Boiling point  665.0±55.0 °C(Predicted)
density  1.65±0.1 g/cm3(Predicted)
storage temp.  2-8°C
pka 3.90±0.50(Predicted)
form  neat
InChIKey CWVRJTMFETXNAD-NXLLHMKUSA-N
CAS DataBase Reference 906-33-2

Neochlorogenic Acid Usage And Synthesis

       

Definition ChEBI: A cinnamate ester obtained by formal condensation of the carboxy group of trans-caffeic acid with the 5-hydroxy group of quinic acid.

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