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Gingerol
CAS: 23513-14-6 | C17H26O4
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
23513-14-6
Molecular Formula:
C17H26O4
Molecular Mass:
294.39 g/mol
Names and Synonyms:
Gingerol
3-Decanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (5S)-
3-Decanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (S)-(+)-
3-Decanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (S)-
(5S)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-decanone
(+)-[6]-Gingerol
[6]-Gingerol
(+)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-decanone
(S)-(+)-[6]Gingerol
(S)-[6]Gingerol
(5S)-[6]-Gingerol
(5S)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one
3-Decanone 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (5S)-
Identifiers:
SMILES:
CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1
InChI:
InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3/t14-/m0/s1
Key Properties
Melting Point
31 °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 | 294.39 g/mol | CAS Common Chemistry |
| 294.391 g/mol | RDKit | |
| 294.183109312 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Gingerol | CAS Common Chemistry |
| Canonical SMILES | O=C(CCC1=CC=C(O)C(OC)=C1)CC(O)CCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3/t14-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=NLDDIKRKFXEWBK-AWEZNQCLSA-N | CAS Common Chemistry |
| Melting Point | 31 °C | CAS Common Chemistry |
| Name | [6]-Gingerol | CAS Common Chemistry |
| Gingerol | CAS Common Chemistry | |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 66.76 Ų | RDKit |
| LogP | 3.2338000000000022 | RDKit |
| Molar Refractivity | 82.75260000000004 | RDKit |
