LBF20306HO07
From Metabolomics.JP
| IDs and Links | |
|---|---|
| LipidBank | XPR6122 |
| LipidMaps | - |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF20306HO07.mol |
| |
| Structural Information | |
| Systematic Name | (R) , (Z,Z,Z) -12-Hydroxy-5,8,14-eicosatetraenoic acid |
| Common Name | |
| Symbol | |
| Formula | C20H34O3 |
| Exact Mass | 322.25079495399996 |
| Average Mass | 322.48216 |
| SMILES | C(CC=CC[C@H](CCC=CCC=CCCCC(O)=O)O)CCC |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | METHYL ESTER ; [a]XD23=-3.0°(C=0.8, ACETONE) <<1093>> |
| Solubility | ETHYL ACETATE <<1094>> |
| Spectral Information | |
| Mass Spectra | METHYL ESTER TMS ETHER ; m/e 393, 319, 297 <<1094>> |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | METHYL ESTER ; 1H-NMR(CDCL3) : d 5.63-5.51(m, 1H), 5.47-5.28(m, 5H), 3.67(S, 3H), 3.67-3.57(m, 1H), 2.79(t, J=5.5Hz, 2H), 2.32(t, J=7.4Hz, 3H), 2.30-1.99(m, 6H), 1.76-1.39(m, 6H), 1.40-1.23(m, 6H), 0.88(t, J=6.8Hz, 3H) <<1093>> |
| Chromatograms | |
