LBF20307PG06
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
|LipidBank=XPR1301 | |LipidBank=XPR1301 | ||
Latest revision as of 09:00, 1 October 2008
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | XPR1301 |
| LipidMaps | LMFA03010004 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF20307PG06.mol |
| PROSTAGLANDIN D2 | |
|---|---|
| |
| Structural Information | |
| Systematic Name | 7- [ 5 (S) -Hydroxy-2 (R) - (3 (S) -hydroxy-1 (E) -octenyl) -3-oxocyclopentan-1 (R) -yl ] -5 (Z) -heptenoic acid |
| Common Name |
|
| Symbol | |
| Formula | C20H32O5 |
| Exact Mass | 352.224974134 |
| Average Mass | 352.46508 |
| SMILES | C(CC[C@@H](O)C=C[C@H]([C@H]1CC=CCCCC(O)=O)C(C[C@@H |
| Physicochemical Information | |
| Melting Point | 68°C <<1010>> |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | [a]XD20=9° (C=2.11,THF) <<1012>> |
| Solubility | ETHYL ACETATE,THF,CHLOROFORM <<1012>> |
| Spectral Information | |
| Mass Spectra | m/e 334, 316, 246, 245, 191, 190, 161, 55 <<1012>> |
| UV Spectra | |
| IR Spectra | KBr : 3400-2500, 1740, 1700, 975cm-1 <<1010>> |
| NMR Spectra | 1H-NMR(270MHz, CDCl3) : d 5.63(dd,J=7 & 16Hz,1H,14-CH), 5.43(dd,J=16 & 8.5Hz,1H,13-CH), 4.47(m, 1H, 9-CH), 4.09(bq, J=7Hz, 1H, 15-CH), 2.87(dd, J=12 & 8.5Hz, 1H, 12-CH), 2.45(m, 2H, 10-CH2), 1.95(bm, 1H, 8-CH) <<1011>> |
| Chromatograms | |
