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Galangin
CAS: 548-83-4 | C15H10O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
548-83-4
Molecular Formula:
C15H10O5
Molecular Mass:
270.24 g/mol
Names and Synonyms:
Galangin
4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-phenyl-
Galangin
Flavone, 3,5,7-trihydroxy-
3,5,7-Trihydroxy-2-phenyl-4H-1-benzopyran-4-one
Norizalpinin
3,5,7-Trihydroxyflavone
NSC 407229
3,5,7-Trihydroxy-2-phenylchromen-4-one
3,5,7-Trihydroxy-2-phenyl-4H-chromen-4-one
Identifiers:
SMILES:
O=c1c(O)c(-c2ccccc2)oc2cc(O)cc(O)c12
InChI:
InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H
Key Properties
Melting Point
214.5 °C
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 | 270.24 g/mol | CAS Common Chemistry |
| 270.05282342000004 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Galangin | CAS Common Chemistry |
| Canonical SMILES | O=C1C(O)=C(OC=2C=C(O)C=C(O)C12)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H | CAS Common Chemistry |
| InChI Key | InChIKey=VCCRNZQBSJXYJD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 214.5 °C | CAS Common Chemistry |
| Name | Galangin | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 90.9 Ų | RDKit |
| LogP | 2.576800000000001 | RDKit |
| Molar Refractivity | 72.91440000000001 | RDKit |
