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Taxifolin
CAS: 480-18-2 | C15H12O7
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
480-18-2
Molecular Formula:
C15H12O7
Molecular Mass:
304.25 g/mol
Names and Synonyms:
Taxifolin
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-, (2R,3R)-
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-, (2R-trans)-
Flavanone, 3,3′,4′,5,7-pentahydroxy-
(2R,3R)-2-(3,4-Dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-4H-1-benzopyran-4-one
Distylin
Taxifolin
Taxifoliol
Dihydroquercetin
(+)-Taxifolin
(+)-Dihydroquercetin
(2R,3R)-Dihydroquercetin
2,3-Dihydroquercetin
3,5,7,3′,4′-Pentahydroxyflavanone
Diquertin
(2R,3R)-(+)-Taxifolin
Lariksin
Lavitol
(+)-trans-Taxifolin
(2R,3R)-3,3′,4′,5,7-Pentahydroxyflavanone
Flamena D
(+)-(2R,3R)-Dihydroquercetin
Flamena
Jikuberuchin
Flavomix
Identifiers:
SMILES:
O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O
InChI:
InChI=1S/C15H12O7/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/h1-5,14-19,21H/t14-,15+/m0/s1
Key Properties
Melting Point
0.237 °C (approx)
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 304.25 g/mol | CAS Common Chemistry |
| 304.25399999999996 g/mol | RDKit | |
| 304.058302724 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Taxifolin | CAS Common Chemistry |
| Canonical SMILES | O=C1C=2C(O)=CC(O)=CC2OC(C3=CC=C(O)C(O)=C3)C1O | CAS Common Chemistry |
| InChI | InChI=1S/C15H12O7/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/h1-5,14-19,21H/t14-,15+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=CXQWRCVTCMQVQX-LSDHHAIUSA-N | CAS Common Chemistry |
| Melting Point | 0.237 °C (approx) | CAS Common Chemistry |
| Name | Taxifolin | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 127.45000000000002 Ų | RDKit |
| LogP | 1.1862999999999995 | RDKit |
| Molar Refractivity | 73.24950000000001 | RDKit |
