ChemicalBook--->CAS DataBase List--->1899-29-2

1899-29-2

1899-29-2 Structure

1899-29-2 Structure
IdentificationBack Directory
[Name]

3-O-Feruloylquinic acid
[CAS]

1899-29-2
[Synonyms]

Feruloylquinic Acid
5-Feruoylquinic acid
3-O-Feruloylquinic acid
(1S,3S,4S,5S)-1,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 1,3,4-trihydroxy-5-[[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, (1R,3S,4S,5S)-rel-
[Molecular Formula]

C17H20O9
[MDL Number]

MFCD34469201
[MOL File]

1899-29-2.mol
[Molecular Weight]

368.34
Chemical PropertiesBack Directory
[Melting point ]

196-197 °C
[Boiling point ]

629.4±55.0 °C(Predicted)
[density ]

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

2-8°C
[solubility ]

Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
[form ]

Powder
[pka]

3.91±0.50(Predicted)
[color ]

White to off-white
[Major Application]

food and beverages
pharmaceutical
[InChI]

InChI=1/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/t11-,13-,15-,17+/s3
[InChIKey]

RAGZUCNPTLULOL-BJICVBJGNA-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 |&1:0,6,21,23,r|
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

3-O-(E)-Feruloylquinic Acid is an organic compound known as quinic acids. It is a chemical compound that is found in Glechomae Herba, an antioxidant.
[target]

Antifection | Proteasome
Spectrum DetailBack Directory
[Spectrum Detail]

3-O-Feruloylquinic acid(1899-29-2)1HNMR
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