LBF20207PG04
From Metabolomics.JP
| IDs and Links | |
|---|---|
| LipidBank | XPR1430 |
| LipidMaps | LMFA03010012 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF20207PG04.mol |
| 6-KETO-PROSTAGLANDIN E1 | |
|---|---|
| |
| Structural Information | |
| Systematic Name | 7- [ 3 (R) -Hydroxy-2 (R) - (3 (S) -hydroxy-1 (E) -octenyl) -5-oxocyclopentan-1 (R) -yl ] -6-oxoheptanoic acid |
| Common Name |
|
| Symbol | |
| Formula | C20H32O6 |
| Exact Mass | 368.219888756 |
| Average Mass | 368.46448 |
| SMILES | C(CC[C@@H](O)C=C[C@H]([C@@H](CC(=O)CCCCC(O)=O)1)[C |
| Physicochemical Information | |
| Melting Point | 65°C <<1053>> |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | [a]XD20=-50°(C=1.55, METHANOL) <<1053>> |
| Solubility | METHANOL, CHLOROFORM <<1053>> |
| Spectral Information | |
| Mass Spectra | DIRECT EXPOSURE AMMONIA CI, POSITIVE : 386(M++18), 368(M+), 351, 350, 244, 136. NEGATIVE : 368(M+) ,350, 338, 332 <<1054>> |
| UV Spectra | |
| IR Spectra | KBr: n 3400, 1740, 1720, 1710, 1245, 1160, 1075, 970 cm-1 <<1053>> |
| NMR Spectra | 1H-NMR(CDCl3) : d 5.58(m, 2H, 13,14-CH), 4.09(m, 1H, 11-CH), 4.02(m, 1H, 15-CH), 2.7(2H, 7-CH), 2.69(IH, 10b-CH), 2.45-2.47(m, 3H, 5,8,12-CH), 2.29(1H, 10a-CH), 2.28(2H, 2-CH), 1.58 - 1.32(12H), 0.91(t, 3H, 20-CH3) <<1069>>. METHYL ESTER ; 13C-NMR(CDCl3) : 216.6, 208.4, 173.8, 138.0, 126.5, 72.3, 51.5, 44.6, 45.7, 42.4, 37.6, 33.8, 31.8, 25.2, 24.5, 23.4, 22.6, 14.0 <<1053>> |
| Chromatograms | |
