LBF20207PG21
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
|LipidBank=XPR1811 | |LipidBank=XPR1811 | ||
Latest revision as of 09:00, 1 October 2008
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | XPR1811 |
| LipidMaps | LMFA03010001 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF20207PG21.mol |
| 6-KETOPROSTAGLANDIN F1alpha | |
|---|---|
| |
| Structural Information | |
| Systematic Name | 7- [ 3 (R) ,5 (S) -Dihydroxy-2 (R) - (3 (S) -hydroxy-1 (E) -octenyl) cyclopentan-1 (R) -yl ] -6-oxoheptanoic acid |
| Common Name |
|
| Symbol | |
| Formula | C20H34O6 |
| Exact Mass | 370.23553882 |
| Average Mass | 370.48036 |
| SMILES | C(CC[C@@H](O)C=C[C@H]([C@@H](CC(=O)CCCCC(O)=O)1)[C |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | [a]XD21= -9.6° (C=1.04 METHANOL) <<1053>> |
| Solubility | DIETHYL ETHER<<1052>>METHANOL, ACETONE, ETHYL ACETATE <<1053>> |
| Spectral Information | |
| Mass Spectra | METHYL ESTER ; 366(M+-18), 348, 335, 330, 323, 319, 279, 265, 223, 196, 195, 164, 143, 121, 111, 99, 95, 71 <<1053>>. DIRECT EXPOSURE AMMONIA CI POSITIVE : 370, 353, 244, 163, 153, 136. NEGATIVE : 368, 351, 334, 316, 225, 219, 166, 135, 127 <<1054>> |
| UV Spectra | |
| IR Spectra | NEAT: n 3400, 1715, 1245, 1045, 975, 915, 875, 845, 800, 730 cm-1 <<1053>> |
| NMR Spectra | 1H-NMR(ACETONE-D6) : d 6.1-5.4(bs, 4H), 5.5-5.2(m, 2H), 4.7-3.5(m, 3H), 2.5-1.1 (m, 22H), 0.86(t, 3H) <<1053>> |
| Chromatograms | |
