LBF20307PG01
From Metabolomics.JP
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | XPR1001 |
| LipidMaps | LMFA03010035 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF20307PG01.mol |
| PROSTAGLANDIN A2 | |
|---|---|
| |
| Structural Information | |
| Systematic Name | 7- [ 2 (R) - (3 (S) -Hydroxy-1 (E) -octenyl) -5-oxo-3-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)C=C[C@H]([C@H]1CC=CCCCC(O)=O)C=CC(=O) |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | [a]XD20=+140°(C=1.15, CHLOROFORM) <<1042>> |
| Solubility | ETHANOL, CHLOROFORM, METHANOL, DIETHYLETHER <<1005>> |
| Spectral Information | |
| Mass Spectra | m/e 334(M+), 316, 190 <<1005>> |
| UV Spectra | EtOH: 217 nm (e 9900) <<1005>> |
| IR Spectra | NUJOL : n 3400, 1705, 1580, 1255, 1115, 1070, 1015 cm-1 <<1005>> |
| NMR Spectra | 1H-NMR(CDCl3) : d 7.57(dd, 1H, 10-CH), 6.2(dd, 1H, 11-CH), 5.6(m, 2H, 13,14-CH), 5.4 (m, 2H, 5,6-CH), 4.12(1H, m, 12-CH), 3.23(m, 1H), 0.89(t, 3H, 0-CH3) <<1043>>. METHYL ESTER : 13C-NMR(CDCl3) 210.3, 174.0, 165.0, 135.2, 133.3, 131.0, 130.2, 126.7, 72.4, 52.1, 51.5, 49.6, 37.3, 33.5, 31.8, 27.4, 26.7, 25.1, 24.8, 22.6, 14.0 <<1044>> |
| Chromatograms | |
