ChemicalBook--->CAS DataBase List--->54542-51-7

54542-51-7

54542-51-7 Structure

54542-51-7 Structure
IdentificationBack Directory
[Name]

QUERCETIN-3-O-BETA-D-GLUCOPYRANOSYL-6''-ACETATE
[CAS]

54542-51-7
[Synonyms]

6"-O-Acetylisoquercitrin
QUERCETIN-3-O-GLUCOSE-6''-ACETATE
Quercetin-3-glucoside-6''-acetate
QUERCETIN-3-O-D-GLUCOPYRANOSYL-6''-ACETATE
QUERCETIN-3-O-B-D-GLUCOPYRANOSYL-6''-ACETATE
QUERCETIN-3-O-BETA-D-GLUCOPYRANOSYL-6''-ACETATE
4H-1-Benzopyran-4-one, 3-[(6-O-acetyl-β-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-
[Molecular Formula]

C23H22O13
[MDL Number]

MFCD00145197
[MOL File]

54542-51-7.mol
[Molecular Weight]

506.41
Chemical PropertiesBack Directory
[Boiling point ]

848.3±65.0 °C(Predicted)
[density ]

1.77±0.1 g/cm3(Predicted)
[pka]

6.17±0.40(Predicted)
[InChIKey]

IGLUNMMNDNWZOA-JTQQIHAQNA-N
[SMILES]

C1(OC2=C(C(O)=CC(O)=C2)C(=O)C=1O[C@H]1[C@H](O)[C@H]([C@H](O)[C@@H](COC(=O)C)O1)O)C1C=CC(O)=C(O)C=1 |&1:14,15,17,18,20,r|
[LogP]

2.110 (est)
Hazard InformationBack Directory
[Uses]

6"-O-Acetylisoquercitrin is a natural product that can be found in Lingonberry[1].
[Definition]

ChEBI: Quercetin 3-(6-O-acetyl-beta-glucoside) is a glycoside and a member of flavonoids.
[References]

[1] Vilkickyte G, et al. Phenolic Fractions from Vaccinium vitis-idaea L. and Their Antioxidant and Anticancer Activities Assessment. Antioxidants (Basel). 2020 Dec 11;9(12):1261. DOI:10.3390/antiox9121261
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