LBF20503SF01
From Metabolomics.JP
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | XPR4102 |
| LipidMaps | LMFA03020010 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF20503SF01.mol |
| LEUKOTRIENE B5 | |
|---|---|
| |
| Structural Information | |
| Systematic Name | 5 (S) ,12 (R) -Dihydroxy-6 (Z) ,8 (E) ,10 (E) ,14 (Z) ,17 (Z) -eicosapentaenoic acid |
| Common Name |
|
| Symbol | |
| Formula | C20H30O4 |
| Exact Mass | 334.21440944799997 |
| Average Mass | 334.4498 |
| SMILES | C(CC=CC[C@H](C=CC=CC=C[C@H](CCCC(O)=O)O)O)=CCC |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | METHANOL <<1120>> |
| Spectral Information | |
| Mass Spectra | METHYL ESTER TRIMETHYLSILYL ETHER M/E, 492(M+), 477, 461, 402, 391, 383,293, 267, 229, 217, 203 <<1121>> |
| UV Spectra | l max = 260sh, 270, 290sh nm <<1121>> |
| IR Spectra | |
| NMR Spectra | METHYL ESTER DIACETATE ; 1H-NMR(BENZEN-d6, 270MHz) : 6.79(dd, J=11.53, 14.83Hz, 1H, 8-CH), 6.34(dd, J=10.55, 14.83Hz, 1H, 10-CH), 6.09(dd, J=10.87, 14.83Hz, 1H, H-9), 6.03(t, J=11.53Hz, 7-CH), 5.90(dt, J =Ca.9.5, 11Hz, 5-CH), 5.63(dd, J=6.92, 14.82Hz, 11-CH), 5.60-5.38(m, 5H, 12,14,15,17,18-CH), 5.33(t, J=10.22Hz, 6-CH), 3.35(s, 3H), 2.83(m, 2H, 16-CH), 2.47(m, 1H, 13-CH), 2.38(m, 1H, 13-CH), 1.74(s, 3H), 1.68(s, 3H), 0.95(t, J=7.5Hz, 3H, 20-CH) <<1120>> |
| Chromatograms | |
