![Quercetin dihydrate[二水槲皮素]](https://newcny.com/wp-content/uploads/2024/07/6151-25-3.svg)
CAS Registry Number®
6151-25-3
CAS Name
Quercetin dihydrate
Molecular Formula
C15H10O7.2H2O
Compound Properties
-
Density (1)
1.680 g/cm³
Source(s)
- (1) Jin, Guang Zhu; Acta Crystallographica, Section C: Crystal Structure Communications, (1990), C46(2), 310-13, CAplus
Other Names and Identifiers
InChI
InChI=1S/C15H10O7.2H2O/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6;;/h1-5,16-19,21H;2*1H2
InChIKey
InChIKey=GMGIWEZSKCNYSW-UHFFFAOYSA-N
SMILES
O=C1C=2C(OC(=C1O)C3=CC(O)=C(O)C=C3)=CC(O)=CC2O.O
Canonical SMILES
O=C1C(O)=C(OC=2C=C(O)C=C(O)C12)C=3C=CC(O)=C(O)C3.O
Other Names for this Substance
- 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, hydrate (1:2)
- Flavone, 3,3′,4′,5,7-pentahydroxy-, dihydrate
- 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, dihydrate
- Quercetin dihydrate
- 3,3′,4′,5,7-Pentahydroxyflavone dihydrate
- 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one dihydrate
