LBF20407HO07
From Metabolomics.JP
| IDs and Links | |
|---|---|
| LipidBank | XPR6103 |
| LipidMaps | - |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF20407HO07.mol |
| |
| Structural Information | |
| Systematic Name | 15 (S) -Hydroxy-5,8,11,13- (Z,Z,Z,E) -eicosatetraenoic acid |
| Common Name | |
| Symbol | |
| Formula | C20H32O3 |
| Exact Mass | 320.23514489 |
| Average Mass | 320.46628 |
| SMILES | C(CC[C@@H](C=CC=CCC=CCC=CCCCC(O)=O)O)CC |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | DIETHYL ETHER <<1086>> |
| Spectral Information | |
| Mass Spectra | METHYL ESTER TMS ETHER ; m/e 406(M+), 391, 335, 316, 305, 225, 173 <<1086>> |
| UV Spectra | METHYL ESTER ; l (ISOOCTANE) = 236nm(e 27200) <<1086>> |
| IR Spectra | |
| NMR Spectra | METHYL ESTER ; 1H-NMR(90MHz) : d 6.56(dd, J=11, 14.5Hz, 1H, 13-CH), 6.02(dd, J=11,11Hz, 1H, 12-CH), 5.7(dd, J=6.8, 14.5Hz, 1H,14-CH), 5.51(dd, J=6,11Hz, 1H, 11-CH), 4.16(dd, J=6.8, 6.8Hz, 1H, 15-CH), 3.69(s, 3H, OCH3), 2.98(2H, 10-CH), 2.84(2H, 7-CH), 2.35(2H, 2-CH), 2.08(2H, 4-CH), 1.47(2H, 16-CH), 2.3-0.9(11H) <<1086>> |
| Chromatograms | |
