Zerumbone
5833
Reference
Zerumbone Structure
Systematic / IUPAC Name: (2Z,6Z,10E)-2,6,9,9-Tetramethyl-2,6,10-cycloundecatrien-1-one
ID: Reference5833
Other Names:
(2Z,6Z,10E)-2,6,9,9-Tetramethylcycloundeca-2,6,10-trien-1-one;
2,6,10-Cycloundecatrien-1-one, 2,6,9,9-tetramethyl-, (E,E,E)-
Formula: C15H22O
Class: Endogenous Metabolites
Spectral Data
Zerumbone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 119 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 10/26/2016 12:27:02 PM |
Identificators
| InChI | InChI=1S/C15H22O/c1-12-6-5-7-13(2)14(16)9-11-15(3,4)10-8-12/h7-9,11H,5-6,10H2,1-4H3/b11-9+,12-8-,13-7- |
| InChI Key | GIHNTRQPEMKFKO-RTTFEGKLSA-N |
| Canonical SMILES | CC1=CCC(C=CC(=O)C(=CCC1)C)(C)C |
| CAS | 471056 |
| Splash | |
| Other Names |
(2Z,6Z,10E)-2,6,9,9-Tetramethylcycloundeca-2,6,10-trien-1-one; 2,6,10-Cycloundecatrien-1-one, 2,6,9,9-tetramethyl-, (E,E,E)- |