LBF20308PG03
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
|LipidBank=XPR1911 | |LipidBank=XPR1911 | ||
Latest revision as of 09:00, 1 October 2008
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | XPR1911 |
| LipidMaps | - |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF20308PG03.mol |
| |
| Structural Information | |
| Systematic Name | 7- [ 2 (E) - (3 (S) -Hydroxyoctylidene) -3-oxo-4-cyclopenten-1 (R) -yl ] -5 (Z) -heptenoic acid |
| Common Name | |
| Symbol | |
| Formula | C20H30O4 |
| Exact Mass | 334.21440944799997 |
| Average Mass | 334.4498 |
| SMILES | C(CC[C@@H](O)CC=C(C(=O)1)[C@@H](CC=CCCCC(O)=O)C=C1 |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | METHANOL<<1050>>ETHANOL, CHLOROFORM, ETHYL ACETATE <<1051>> |
| Spectral Information | |
| Mass Spectra | m/e 334(M+), 316, 245, 236 <<1051>> |
| UV Spectra | l EtOHmax = 244(e 6100)nm <<1051>> |
| IR Spectra | n : 2930, 1700, 1640, 1580, 1232, 028 cm-1 <<1051>> |
| NMR Spectra | 1H-NMR(CDCl3) : d 7.5(dd, 1H, 9-CH), 6.56(t, 1H, 13-CH), 6.35(dd,1 H, 10-CH), 5.48(m, 2H, 5,6-CH), 3.88(m, 1H, 15-CH), 3.44(m, 1H, 8-CH) <<1051>> |
| Chromatograms | |
