LBF20408AM05
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
|LipidBank=XPR7060 | |LipidBank=XPR7060 | ||
Latest revision as of 09:00, 1 October 2008
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | XPR7060 |
| LipidMaps | LMFA08020046 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF20408AM05.mol |
| |
| Structural Information | |
| Systematic Name | (16,16-dimethyldocosa-cis-5,8,11,14-tetraenoyl) propylamine |
| Common Name | |
| Symbol | |
| Formula | C27H47NO |
| Exact Mass | 401.365765131 |
| Average Mass | 401.66821999999996 |
| SMILES | C(=O)(NCCC)CCCC=CCC=CCC=CCC=CC(C)(C)CCCCCC |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | 1H NMR (CDCl3) d5.36 (overlap m, 7H, NH, 5,6,8,9,11,12-vinyl-H), 5.21 (m, 2H, 14,15-vinyl-H), 3.21 (q, 2H, J=6.7Hz, N-CH2), 2.92 (t, 2H, J=5.9Hz, 13-CH2), 2.80 (m, 4H, 7,10-CH2), 2.16,2.12 (t, m, 4H, J=7.6Hz, 2&4-CH2), 1.71 (p, 2H, J=7.4Hz, 3-CH2), 1.52 (hx, 2H, J=7.3Hz, 2'-CH2), 1.25 (m, 10H, 17-21-CH2), 1.08 (s, 6H, gem-Me2), 0.91,0.87 (t,m, 6H, 3'-CH3, 22-CH3) <<7009>> |
| Chromatograms | |
