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CAS 123483-19-2

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3-O-Caffeoylquinic acid methyl ester

Description:
3-O-Caffeoylquinic acid methyl ester, with the CAS number 123483-19-2, is a naturally occurring phenolic compound derived from the esterification of caffeoylquinic acid. This compound is characterized by its structural features, which include a quinic acid backbone with a caffeoyl group attached at the 3-position and a methyl ester functional group. It exhibits antioxidant properties, which are attributed to the presence of the caffeoyl moiety, making it of interest in various fields, including food science and pharmacology. The compound is soluble in organic solvents and has limited solubility in water, which influences its bioavailability and potential applications. Additionally, it may contribute to the health benefits associated with the consumption of certain plants, particularly in traditional herbal medicine. Its stability and reactivity can be influenced by environmental factors such as pH and temperature, which are important considerations in both research and practical applications. Overall, 3-O-Caffeoylquinic acid methyl ester represents a significant compound in the study of natural products and their potential health benefits.
Formula:C17H20O9
InChI:InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1
InChI key:InChIKey=MZNIJRAPCCELQX-AWOKGZDASA-N
SMILES:C(OC)(=O)[C@@]1(O)C[C@@H](OC(/C=C/C2=CC(O)=C(O)C=C2)=O)[C@H](O)[C@H](O)C1
Synonyms:
  • 3-O-Caffeoylquinic acid methyl ester
  • Cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, methyl ester, (1S,3R,4R,5R)-
  • (E)-Chlorogenic acid methyl ester
  • Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, methyl ester, [1S-[1α,3β(E),4α,5α]]-
  • Cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxy-, methyl ester, (1S,3R,4R,5R)-
  • Chlorogenic acid methylester
  • 3-caffeoylquinic acid methyl ester
  • 3-O-Caffeoylquinic acid methyl,Methyl chlorogenate
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