LBF20207PG02
From Metabolomics.JP
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | XPR1100 |
| LipidMaps | LMFA03010131 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF20207PG02.mol |
| PROSTAGLANDIN B1 | |
|---|---|
| |
| Structural Information | |
| Systematic Name | 7- [ 2- (3 (S) -Hydroxy-1 (E) -octenyl) -5-oxo-1-cyclopenten-1-yl ] heptanoic acid / (E,S) -15-Hydroxy-9-oxo-8 (12) ,13-prostadienoic acid |
| Common Name |
|
| Symbol | |
| Formula | C20H32O4 |
| Exact Mass | 336.23005951199997 |
| Average Mass | 336.46567999999996 |
| SMILES | C(CC[C@@H](O)C=CC(=C1CCCCCCC(O)=O)CCC(=O)1)CC |
| Physicochemical Information | |
| Melting Point | 70-71°C <<1102>> |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | METHYL ESTER ; m/e 350(M+), 332, 319, 301, 251, 219 <<1106>> |
| UV Spectra | l max = 278nm(e 28,650) <<1103>> |
| IR Spectra | 5.91, 6.10, 6.27, 10.3mm <<1104>> |
| NMR Spectra | 1H-NMR :d 6.87(d, J=16Hz, 1H, 13-CH), 6.25(d,d, J=16.6Hz, 1H, 14-CH), 4.38(1H, 15-CH) <<1105>> |
| Chromatograms | |
