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CAS 132741-56-1

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Chlorogenic acid butyl ester

Description:
Chlorogenic acid butyl ester, with the CAS number 132741-56-1, is an ester derivative of chlorogenic acid, which is a naturally occurring compound found in various plants, particularly in coffee beans. This compound is characterized by its potential antioxidant properties, which can help in neutralizing free radicals in biological systems. Chlorogenic acid butyl ester is typically a colorless to pale yellow liquid with a pleasant odor, and it is soluble in organic solvents. Its structure features a butyl group attached to the chlorogenic acid backbone, which may influence its solubility and biological activity compared to its parent compound. This ester is of interest in various fields, including food science and pharmaceuticals, due to its potential health benefits, such as anti-inflammatory and anti-diabetic effects. Additionally, it may be utilized in the formulation of cosmetic products for its skin-protective properties. However, further research is necessary to fully understand its mechanisms of action and potential applications.
Formula:C20H26O9
InChI:InChI=1S/C20H26O9/c1-2-3-8-28-19(26)20(27)10-15(23)18(25)16(11-20)29-17(24)7-5-12-4-6-13(21)14(22)9-12/h4-7,9,15-16,18,21-23,25,27H,2-3,8,10-11H2,1H3/b7-5+/t15-,16-,18-,20+/m1/s1
InChI key:InChIKey=VNLREARKISTOAD-SNQQTVKYSA-N
SMILES:C(OCCCC)(=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:
  • Chlorogenic acid butyl ester
  • 3-O-Caffeoyl quinic acid butyl ester
  • Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, butyl ester, [1S-[1α,3β(E),4α,5α]]-
  • Cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, butyl ester, (1S,3R,4R,5R)-
  • Cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxy-, butyl ester, (1S,3R,4R,5R)-
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