LBF20307PG05
From Metabolomics.JP
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | XPR1201 |
| LipidMaps | LMFA03010133 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF20307PG05.mol |
| PROSTAGLANDIN C2 | |
|---|---|
| |
| Structural Information | |
| Systematic Name | 7- [ 2- (3 (S) -Hydroxy-1 (E) -octenyl) -5-oxo-2-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=CC([C@H]1CC=CCCCC(O)=O)=CCC(=O)1)CC |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | METHANOL, CHLOROFORM <<1047>> |
| Spectral Information | |
| Mass Spectra | METHYL ESTER; m/e 348(M+), 330, 249, 245, 217, 215, 190, 133, 119, 109 <<1046>> |
| UV Spectra | l MeOHmax = 234 nm (e 17000) <<1047>> |
| IR Spectra | CHLOROFORM solution, n 1750,1715 cm-1 <<1047>> |
| NMR Spectra | METHYL ESTER ; d 6.3(d, J=16Hz, 1H, 13-CH), 6.1-5.95(m, 2H, 11-CH), 5,7(dd, J=6,16Hz, 1H, 14-CH), 5.7-5.1(m, 2H, 5,6-CH), 4.4-4.0(m, 1H, 15-CH), 3.69(S, 3H, OCH3), 3.3-3.0(m, 1H,8-CH), 3.0-2.8(m, 2H, 10-CH) <<1046>> |
| Chromatograms | |
