ChemicalBook--->CAS DataBase List--->40242-06-6

40242-06-6

40242-06-6 Structure

40242-06-6 Structure
IdentificationBack Directory
[Name]

5-O-Feruloylquinic acid
[CAS]

40242-06-6
[Synonyms]

5-FQA
5-O-Feruloylquinic acid
Cyclohexanecarboxylic acid, 1,3,4-trihydroxy-5-[[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, (1R,3R,4S,5R)-
[Molecular Formula]

C17H20O9
[MDL Number]

MFCD34470870
[MOL File]

40242-06-6.mol
[Molecular Weight]

368.34
Chemical PropertiesBack Directory
[Melting point ]

199-200 °C(Solv: water (7732-18-5))
[Boiling point ]

629.4±55.0 °C(Predicted)
[density ]

1.53±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C
[solubility ]

DMSO: soluble
[form ]

A solid
[pka]

3.91±0.50(Predicted)
[color ]

White to off-white
[Major Application]

food and beverages
pharmaceutical
[InChIKey]

RAGZUCNPTLULOL-JSHWQEIDSA-N
[SMILES]

[C@]1(O)(C(O)=O)C[C@@H](OC(=O)C=CC2=CC=C(O)C(OC)=C2)[C@@H](O)[C@H](O)C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P264-P270-P301+P312-P330-P501
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

5-O-Feruloylquinic Acid is a derivative of quinic acid and a constituent of coffee beans. Studies showed that coffee polyphenols is able to suppress fat accumulation by downregulating SREBP-1c in mice.
[Definition]

ChEBI: 3-Feruloylquinic acid is a quinic acid.
Spectrum DetailBack Directory
[Spectrum Detail]

5-O-Feruloylquinic acid(40242-06-6)1HNMR
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