LBF20207PG03
From Metabolomics.JP
| IDs and Links | |
|---|---|
| LipidBank | XPR1400 |
| LipidMaps | LMFA03010134 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF20207PG03.mol |
| PROSTAGLANDIN E1 | |
|---|---|
| |
| Structural Information | |
| Systematic Name | 7- [ 3 (R) -Hydroxy-2 (R) - (3 (S) -hydroxy-1 (E) -octenyl) -5-oxocyclopentan-1 (R) -yl ] -heptanoic acid / (8R,11R,12R,13E,15S) -11,15-Dihydroxy-9-oxo-13-prostenoic 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]1CCCCCCC(O)=O)[C@@H](CC |
| Physicochemical Information | |
| Melting Point | 115-117°C <<1107>> |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | [a]578=-61.6°(C=0.56, TETRAHYDROFURAN) <<1108>> |
| Solubility | DIETHYL ETHER, ETHYL ACETATE <<1107>>, METHANOL <<1106>>, TETRAHYDROFURAN <<1108>> |
| Spectral Information | |
| Mass Spectra | METHYL ESTER ; m/e 350, 332, 319, 301, 279 <<1104>> |
| UV Spectra | |
| IR Spectra | METHYL ESTER ; n 1726, 1717sh, 1699, 980 cm-1 <<1109>> |
| NMR Spectra | 1H-NMR(CDCl3+DMSO-d6,TMS) : d 5.70-5.51(m, 2H), 4.14-3.86(m, 2H), 2.72(d,d, 1H)<<1109>>. 13C-NMR(CHCl3-CH3OH, TMS) : d 215.2(C-9), 176.7(C-1), 136.6(C-14), 131.9(C-13), 72.9(C-15), 71.6(C-11), 54.6(C-8), 54.2(C-12), 45.9(C-10), 36.9(C-16), 33.8(C-2), 31.5(C-18), 29.0(C-4), 28.6(C-5), 27.4(C-7), 26.3(C-6), 25.0(C-17), 24.5(C-3), 22.5(C-19), 13.8(C-20) <<1008>> |
| Chromatograms | |
