ChemicalBook--->CAS DataBase List--->2613-86-7

2613-86-7

2613-86-7 Structure

2613-86-7 Structure
IdentificationBack Directory
[Name]

4-O-Feruloylquinic acid
[CAS]

2613-86-7
[Synonyms]

4-Feruoylquinic acid
4-Feruloylquinic acid
4-O-Feruloylquinic acid
4-O-feruloyl-D-quinic acid
4-O-Feruloylquinic Acid DISCONTINUED. Please see F308985.
Cyclohexanecarboxylic acid, 1,3,5-trihydroxy-4-[[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, (1α,3R,4α,5R)-
(1alpha,3R,4alpha,5R)-1,3,5-Trihydroxy-4-[[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]cyclohexanecarboxylic acid
[Molecular Formula]

C17H20O9
[MDL Number]

MFCD34469200
[MOL File]

2613-86-7.mol
[Molecular Weight]

368.34
Chemical PropertiesBack Directory
[Melting point ]

195-196 °C(Solv: water (7732-18-5))
[Boiling point ]

656.1±55.0 °C(Predicted)
[density ]

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

2-8°C
[form ]

Solid
[pka]

4.07±0.50(Predicted)
[color ]

White to off-white
[Major Application]

food and beverages
pharmaceutical
[InChI]

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

VTMFDSJJVNQXLT-YYJRJVKZNA-N
[SMILES]

O([C@@H]1[C@@H](C[C@@](O)(C(=O)O)C[C@H]1O)O)C(=O)C=CC1C=CC(O)=C(OC)C=1 |&1:1,2,4,10,r|
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

4-O-Feruloylquinic Acid is a methanolic extract of Murraya Paniculata leaves that exhibits antioxidant and antimicrobial properties against fungi, gram positive and gram negative bacteria.
[Definition]

ChEBI: 4-O-feruloylquinic acid is an organic molecular entity.
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