CAS 123372-74-7

4-O-Caffeoylquinic acid methyl ester

Description:

4-O-Caffeoylquinic acid methyl ester, also known as 4-CQA methyl ester, is a phenolic compound derived from chlorogenic acid. It is characterized by its ester functional group, which is formed by the reaction of caffeoyl and quinic acid. This compound typically exhibits antioxidant properties, making it of interest in food chemistry and pharmacology for its potential health benefits. It is soluble in organic solvents and has a relatively low solubility in water, which influences its bioavailability and application in various formulations. The presence of the caffeoyl moiety contributes to its ability to scavenge free radicals, while the quinic acid structure may enhance its stability and interaction with biological systems. Additionally, 4-O-Caffeoylquinic acid methyl ester is often studied for its role in plant metabolism and its potential therapeutic effects, including anti-inflammatory and neuroprotective activities. Its unique chemical structure and properties make it a valuable compound in both research and potential applications in nutraceuticals and pharmaceuticals.

Formula: C₁₇H₂₀O₉

InChI: InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(13(21)8-17)26-14(22)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-21,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1

InChI key: InChIKey=SMFKCIHIAHWGGL-AWOKGZDASA-N

SMILES: O(C(/C=C/C1=CC(O)=C(O)C=C1)=O)[C@@H]2[C@H](O)C[C@](C(OC)=O)(O)C[C@H]2O

Synonyms:

• Cyclohexanecarboxylic acid, 4-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,3,5-trihydroxy-, methyl ester, (1α,3R,4α,5R)-
• Methyl 4-O-caffeoylquinate
• 4-O-Caffeoylquinic acid methyl ester
• 4-O-E-Caffeoylquinic acid methyl ester
• Cyclohexanecarboxylic acid, 4-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,3,5-trihydroxy-, methyl ester, (1α,3R,4α,5R)-

Methyl 4-caffeoylquinate

CAS: 123372-74-7

Methyl 4-caffeoylquinate is a natural product for research related to life sciences. The catalog number is TN4532 and the CAS number is 123372-74-7.

Formula: C₁₇H₂₀O₉

Purity: 98%

Color and Shape: Solid

Molecular weight: 368.34

Ref: TM-TN4532

4-O-Caffeoylquinic acid methyl ester

CAS: 123372-74-7

Formula: C₁₇H₂₀O₉

Purity: 95%~99%

Molecular weight: 368.338

Ref: BP-BP2308

Methyl 4-caffeoylquinate

CAS: 123372-74-7

Methyl 4-caffeoylquinate is a phenolic ester, which is a compound derived from plant sources, particularly in various coffee beans and related species. This compound is part of the chlorogenic acid family and is known for its antioxidant properties, which play a critical role in neutralizing free radicals and reducing oxidative stress in biological systems.

Formula: C₁₇H₂₀O₉

Purity: Min. 95%

Molecular weight: 368.3 g/mol

Ref: 3D-YEA37274