LBF20307PG03
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
|LipidBank=XPR1101 | |LipidBank=XPR1101 | ||
Latest revision as of 09:00, 1 October 2008
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | XPR1101 |
| LipidMaps | LMFA03010018 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF20307PG03.mol |
| PROSTAGLANDIN B2 | |
|---|---|
| |
| Structural Information | |
| Systematic Name | 7- [ 2- (3 (S) -Hydroxy-1 (E) -octenyl) -5-oxo-1-cyclopenten-1-yl ] -5 (Z) -heptenoic acid |
| Common Name |
|
| Symbol | |
| Formula | C20H30O4 |
| Exact Mass | 334.21440944799997 |
| Average Mass | 334.4498 |
| SMILES | C(CC[C@@H](O)C=CC(=C1CC=CCCCC(O)=O)CCC(=O)1)CC |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | METHYL ESTER; m/e 348(M+), 317, 249, 247, 245, 217, 215, 133, 119, 109 <<1046>> |
| UV Spectra | MeOH: 278 nm (e 26000) <<1045>> |
| IR Spectra | |
| NMR Spectra | METHYL ESTER ; 1H-NMR : d 6.9(d, J=16Hz, 1H, 13-CH), 6.3(dd, J=5.5, 16Hz, 1H,14-CH), 5.7-5.1(m, 2H), 4.5-4.1(m, 1H, 15-CH), 3.65(S, 3H, OCH3), 3.15-2.85(m, 2H, 7-CH) <<1046>> |
| Chromatograms | |
