ChemicalBook--->CAS DataBase List--->188742-80-5

188742-80-5

188742-80-5 Structure

188742-80-5 Structure
IdentificationBack Directory
[Name]

4,5-Di-O-caffeoylquinic acid methyl ester
[CAS]

188742-80-5
[Synonyms]

4,5-Di-O-caffeoylquinic acid methyl ester
Cyclohexanecarboxylic acid, 3,4-bis[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,5-dihydroxy-, methyl ester, (1R,3R,4S,5R)-
[Molecular Formula]

C26H26O12
[MDL Number]

MFCD11040885
[MOL File]

188742-80-5.mol
[Molecular Weight]

530.48
Chemical PropertiesBack Directory
[Boiling point ]

740.7±60.0 °C(Predicted)
[density ]

1.56±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C
[form ]

solid
[pka]

9.32±0.10(Predicted)
[biological source]

plant
[Major Application]

metabolomics
vitamins, nutraceuticals, and natural products
[InChIKey]

PKJBSZTYNDRXEQ-GMGOHGFSSA-N
[SMILES]

O([C@@H]2[C@@H](C[C@@](C[C@H]2O)(O)C(=O)OC)OC(=O)\C=C\c3cc(c(cc3)O)O)C(=O)\C=C\c1cc(c(cc1)O)O
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

It is a natural product derived from plant source th at finds application in compound screening libraries, metabolomics, phytochemical, and pharmaceutical research.
[Biological Activity]

4,5-Di-O-caffeoylquinic acid methyl ester demonstrates strong antioxidant activity with significant free radical-scavenging abilities against DPPH. Additionallyit displays in vitro antiviral activity against the respiratory syncytial virus.
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