LBF20207PG05
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
|LipidBank=XPR1500 | |LipidBank=XPR1500 | ||
Latest revision as of 09:00, 1 October 2008
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | XPR1500 |
| LipidMaps | LMFA03010137 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF20207PG05.mol |
| PROSTAGLANDIN F1alpha | |
|---|---|
| |
| Structural Information | |
| Systematic Name | 7- [ 3 (R) ,5 (S) -Dihydroxy-2 (R) - (3 (S) -hydroxy-1 (E) -octenyl) cyclopentan-1 (R) -yl ] -heptanoic acid / (8R,9S,11R,13E,15S) -9,11,15-Trihydroxyprost-13-enoic acid |
| Common Name |
|
| Symbol | |
| Formula | C20H36O5 |
| Exact Mass | 356.256274262 |
| Average Mass | 356.49684 |
| SMILES | C(CC[C@@H](O)C=C[C@H]([C@H]1CCCCCCC(O)=O)[C@@H](C[ |
| Physicochemical Information | |
| Melting Point | 102-103°C <<1110>> |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | [a]XD25=+30°(ETHANOL) <<1005>> |
| Solubility | DIETHYL ETHER, ETHYL ACETATE, METHANOL <<1110>>, ETHANOL <<1005>> |
| Spectral Information | |
| Mass Spectra | m/e 356(M+), 338, 320 <<1102>> |
| UV Spectra | |
| IR Spectra | d,l-PGF1a ; KBr : n 3330, 1716, 967 cm-1 <<1111>> |
| NMR Spectra | 1H-NMR(ACETONE-d6, TMS) : d 5.50(2H, 13-,14-CH), 3.75-4.3(m, 3H), 0.88(t, 3H) <<1102>>1H-NMR(CD3OD, TMS, 300MHz):d4.10(1H, 9-CH), 3.81(1H, 11-CH), 2.36(1H, 10b-CH), 1.57(1H, 10a-CH)<<1112>> |
| Chromatograms | |
