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202650-88-2

202650-88-2 Structure

202650-88-2 Structure
IdentificationBack Directory
[Name]

(-)-5-Caffeoyl quinic acid
[CAS]

202650-88-2
[Synonyms]

(-)-5-Caffeoyl quinic acid
1,4α,5α-Trihydroxy-3β-(3,4-dihydroxy-trans-cinnamoyloxy)cyclohexane-1β-carboxylic acid
1,4α,5α-Trihydroxy-3β-[(E)-3-(3,4-dihydroxyphenyl)propenoyloxy]cyclohexane-1β-carboxylic acid
(1S)-1β,3β,4β-Trihydroxy-5α-[(E)-3-(3,4-dihydroxyphenyl)acryloyloxy]cyclohexane-1-carboxylic acid
(E)-3-(3,4-Dihydroxyphenyl)acrylic acid [(1R)-2α,3α,5-trihydroxy-5β-carboxycyclohexane-1β-yl] ester
(1S)-5α-[[(E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1β,3β,4β-trihydroxycyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-
[Molecular Formula]

C16H18O9
[MOL File]

202650-88-2.mol
[Molecular Weight]

354.31
Chemical PropertiesBack Directory
[Boiling point ]

665.0±55.0 °C(Predicted)
[density ]

1.65±0.1 g/cm3(Predicted)
[pka]

3.90±0.50(Predicted)
Hazard InformationBack Directory
[Definition]

ChEBI: Chlorogenic acid is a cinnamate ester obtained by formal condensation of the carboxy group of trans-caffeic acid with the 3-hydroxy group of quinic acid. It is an intermediate metabolite in the biosynthesis of lignin. It has a role as a plant metabolite and a food component. It is a cinnamate ester and a tannin. It is functionally related to a (-)-quinic acid and a trans-caffeic acid. It is a conjugate acid of a chlorogenate.
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