LBF20307PG09
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
|LipidBank=XPR1501 | |LipidBank=XPR1501 | ||
Latest revision as of 09:00, 1 October 2008
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | XPR1501 |
| LipidMaps | LMFA03010002 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF20307PG09.mol |
| PROSTAGLANDIN F2alpha | |
|---|---|
| |
| Structural Information | |
| Systematic Name | 7- [ 3 (R) ,5 (S) -Dihydroxy-2 (R) - (3 (S) -hydroxy-1 (E) -octenylcyclopentan-1 (R) -yl ] -5 (Z) -heptenoic acid |
| Common Name |
|
| Symbol | |
| Formula | C20H34O5 |
| Exact Mass | 354.240624198 |
| Average Mass | 354.48096000000004 |
| SMILES | C(CC[C@@H](O)C=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@@H](C |
| Physicochemical Information | |
| Melting Point | 25-35°C <<1007>> |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | [a]XD25=23.8 °(C=1,THF) <<1001>> |
| Solubility | ETHYL ACETATE, ACETONE, DIETHYLETHER <<1005>>. STABILITIES: to be stable under neutral and basic conditions <<1004>> |
| Spectral Information | |
| Mass Spectra | 354(M+), 336, 318, 292, 274, 264(100), 247, 229, 191, 177, 165, 137, 99, 81, 67 <<1009>> |
| UV Spectra | |
| IR Spectra | NEAT : 3320, 2640, 1710, 1295, 1260, 1245, 1120, 1080, 1055, 1025, 975cm-1 <<1005>> |
| NMR Spectra | 1H-NMR(d6-ACETONE) : d 5.48(m, 4H), 4.05(m, 3H), 0.9(t, 3H, 20-CH3) <<1005>>. 13C-NMR : 176.6(C1), 135.0(C14), 132.8(C5), 129.1(C13 or C6), 128.9(C6 or C13), 77.2(C11), 72.9(C15), 71.8(C9), 55.0(C12), 49.9(C8), 42,6(C10), 36.8(C16), 33.2(C2), 31,5(C18), 26.3(C4), 25.1(C7), 25.1(C17), 24.5 <<1008>> |
| Chromatograms | |
