LBF16202HO01
From Metabolomics.JP
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | DFA8078 |
| LipidMaps | LMFA01050151 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF16202HO01.mol |
| |
| Structural Information | |
| Systematic Name | Methyl-8- [ 2- (2-Formylvinyl) -3-Hydroxy-5-Oxocyclopentyl ] Octanoate |
| Common Name | |
| Symbol | |
| Formula | C17H26O6 |
| Exact Mass | 326.172938564 |
| Average Mass | 326.38473999999997 |
| SMILES | O=CC=CC(C(OO)1)C(CCCCCCCC(=O)OC)C(=O)C1 |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | GC-EI-MS(after reduction(NaBH4) and TMS-derivatization)<<8082>>: m/e=530[M]; 515[M-CH3]; 440[M-HOTMS]; 425[440-CH3]; 399[515-SMTO=CHCH2]; 324[440-SMTO= CHCH2]; 311[M-SMTOC3H5OTMS]; 243[SMTOC5H5OTMS]; 217[EMTOC3H3OTMS]; 191[SMT OCHOTMS]; 167[C6H6OTMS] |
| UV Spectra | |
| IR Spectra | Keto carbonyl: 1740cm-1[the peak corresponded with ester carbonyl] conjugated aldehyde: 1688cm-1 <<8082>> |
| NMR Spectra | |
| Chromatograms | |
