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[10]-Gingerol
CAS: 23513-15-7 | C21H34O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
23513-15-7
Molecular Formula:
C21H34O4
Molecular Mass:
350.50 g/mol
Names and Synonyms:
[10]-Gingerol
3-Tetradecanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (5S)-
3-Tetradecanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (S)-
(5S)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-tetradecanone
[10]-Gingerol
(+)-(S)-[10]-Gingerol
(5S)-[10]-Gingerol
(S)-[10]-Gingerol
(5S)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one
Identifiers:
SMILES:
CCCCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1
InChI:
InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1
Key Properties
Melting Point
56-58 °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 | 350.50 g/mol | CAS Common Chemistry |
| 350.4990000000001 g/mol | RDKit | |
| 350.24570956799994 g/mol | RDKit | |
| Canonical SMILES | O=C(CCC1=CC=C(O)C(OC)=C1)CC(O)CCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=AIULWNKTYPZYAN-SFHVURJKSA-N | CAS Common Chemistry |
| Melting Point | 56-58 °C | CAS Common Chemistry |
| Name | [10]-Gingerol | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 14 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 66.76 Ų | RDKit |
| LogP | 4.794200000000005 | RDKit |
| Molar Refractivity | 101.22060000000006 | RDKit |
