LBF19306HP01
From Metabolomics.JP
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | DFA8090 |
| LipidMaps | LMFA01040028 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF19306HP01.mol |
| |
| Structural Information | |
| Systematic Name | 7- [ 3,5-Epidioxy-2- (2-Octenyl) Cyclopentyl ] -5-Hydroperoxy-6-Heptenoic Acid/7- [ 3,5-Epidioxy-2- (2-Octenyl) Cyclopentyl ] -5-Hydroperoxy-6-Heptenoate |
| Common Name | |
| Symbol | |
| Formula | C19H30O6 |
| Exact Mass | 354.204238692 |
| Average Mass | 354.4379 |
| SMILES | C(C2CC=CCCCCC)(O1)CC(C2=CC(OO)CCCC(O)=O)O1 |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | GC-EI-MS(Me-ester; after reduction and TMS)<<8080>>: m/e=569[M-CH3]; 494[M-HOTMS]; 483[M-(CH2)3COOCH3]; 404[M-2xHOTMS]; 378[494-SMTO=CHCH2]; 367[M-SMTOCH=CHCH=OTMS]; 203[SMTO=CH(CH2)3COOCH3]; 191[SMTO=CHOTMS] |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | |
| Chromatograms | |
