7-Hydroxycoumarinyl-γ-linolenate
6699
Reference
7-Hydroxycoumarinyl-γ-linolenate Structure
Systematic / IUPAC Name: 2-Oxo-2H-chromen-7-yl (6Z,9Z,12Z)-6,9,12-octadecatrienoate
ID: Reference6699
Other Names:
2-Oxo-2H-1-benzopyran-7-yl ester 6Z,9Z,12Z-octadecatrienoic acid;
7-Hydroxycoumarinyl-γ-linolenate;
Umbelliferyl-γ-linolenate
Formula: C27H34O4
Spectral Data
7-Hydroxycoumarinyl-γ-linolenate 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 | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 4041 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 8/9/2017 11:38:17 AM |
Identificators
| InChI | InChI=1S/C27H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(28)30-24-20-18-23-19-21-27(29)31-25(23)22-24/h6-7,9-10,12-13,18-22H,2-5,8,11,14-17H2,1H3/b7-6-,10-9-,13-12- |
| InChI Key | LPIXSKJJCANUQD-QNEBEIHSSA-N |
| Canonical SMILES | CCCCCC=CCC=CCC=CCCCCC(=O)OC1=CC2=C(C=C1)C=CC(=O)O2 |
| CAS | 161180127 |
| Splash | |
| Other Names |
2-Oxo-2H-1-benzopyran-7-yl ester 6Z,9Z,12Z-octadecatrienoic acid; 7-Hydroxycoumarinyl-γ-linolenate; Umbelliferyl-γ-linolenate |