Systematic / IUPAC Name: (4E)-1-(4-Hydroxy-3-methoxyphenyl)-4-decen-3-one
ID: Reference7655
Other Names:
trans-6-Shogaol;
6-Shogaol;
(E)-1-(4-Hydroxy-3-methoxyphenyl)dec-4-en-3-one;
(4E)-1-(4-Hydroxy-3-methoxyphenyl)dec-4-en-3-one;
1-(4-Hydroxy-3-methoxyphenyl)dec-4-en-3-one
; more
Formula: C17H24O3
Shogaol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP FAIMS |
No. of Spectral Trees | 1 |
No. of Spectra | 162 |
Tandem Spectra | MS1, MS2 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 3/28/2018 7:35:15 AM |
InChI | InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+ |
InChI Key | OQWKEEOHDMUXEO-BQYQJAHWSA-N |
Canonical SMILES | CCCCCC=CC(=O)CCC1=CC(=C(C=C1)O)OC |
CAS | |
Splash | |
Other Names |
trans-6-Shogaol; 6-Shogaol; (E)-1-(4-Hydroxy-3-methoxyphenyl)dec-4-en-3-one; (4E)-1-(4-Hydroxy-3-methoxyphenyl)dec-4-en-3-one; 1-(4-Hydroxy-3-methoxyphenyl)dec-4-en-3-one; 4-Decen-3-one, 1-(4-hydroxy-3-methoxyphenyl); 4-Decen-3-one, 1-(4-hydroxy-3-methoxyphenyl)-, (4E)- |
ChEMBL | CHEMBL25948 |
HMDb | HMDB31463 |
PubChem | 5281794 |
KEGG | C10494 |
ChEBI | CHEBI:10138 |
ChemIDPlus | 000555668 |
Wikipedia | Shogaol |
ChemSpider | 4445106 |