LBF20403PG01
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
|LipidBank=XPR1402 | |LipidBank=XPR1402 | ||
Latest revision as of 09:00, 1 October 2008
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | XPR1402 |
| LipidMaps | LMFA03010135 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF20403PG01.mol |
| PROSTAGLANDIN E3 | |
|---|---|
| |
| Structural Information | |
| Systematic Name | 7- [ 3 (R) -Hydroxy-2 (R) - (3 (S) -hydroxyocta-1 (E) ,5 (Z) -dienyl) -5-oxocyclopentan-1 (R) -yl ] -5 (Z) -heptenoic acid / (5Z,8R,11R,12R,13E,15S,17Z) -11,15-Dihydroxy-9-oxo-5,13,17-prostatrienoic acid |
| Common Name |
|
| Symbol | |
| Formula | C20H30O5 |
| Exact Mass | 350.20932407 |
| Average Mass | 350.4492 |
| SMILES | C(=CC[C@@H](O)C=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@@H]( |
| Physicochemical Information | |
| Melting Point | 84.5-85.5°C <<1113>> |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | [a]XD24=-48.9°(C=1.2, TETRAHYDROFURAN) <<1114>> |
| Solubility | TETRAHYDROFURAN <<1114>> |
| Spectral Information | |
| Mass Spectra | METHYL ESTER ; m/e 346(M-18), 328(M-18x2), 315, 297, 277, 259, 188 <<1116>> |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | METHYL ESTER ; 1H-NMR(CDCl3) : d 5.8-5.5(m, 2H,13, 14-CH), 5.5-5.2(m, 4H, 5,6,17,18-CH), 4.4-3.8(m, 2H, 11,15-CH), 0.95(t, 3H, 20-CH) <<1115>> |
| Chromatograms | |
