ChemicalBook > CAS DataBase List > (-)-5-Caffeoyl quinic acid
(-)-5-Caffeoyl quinic acid
- Product Name
- (-)-5-Caffeoyl quinic acid
- CAS No.
- 202650-88-2
- Chemical Name
- (-)-5-Caffeoyl quinic acid
- Synonyms
- trans-Chlorogenic acid;(-)-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)-
- CBNumber
- CB92393341
- Molecular Formula
- C16H18O9
- Formula Weight
- 354.31
- MOL File
- 202650-88-2.mol
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(-)-5-Caffeoyl quinic acid Property
- Boiling point:
- 665.0±55.0 °C(Predicted)
- Density
- 1.65±0.1 g/cm3(Predicted)
- pka
- 3.90±0.50(Predicted)
- InChIKey
- CWVRJTMFETXNAD-JUHZACGLSA-N
- SMILES
- [C@]1(O)(C(O)=O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/C2=CC=C(O)C(O)=C2)C1
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(-)-5-Caffeoyl quinic acid Chemical Properties,Usage,Production
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.
(-)-5-Caffeoyl quinic acid Preparation Products And Raw materials
Raw materials
Preparation Products
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