LBF20407PG01
From Metabolomics.JP
| IDs and Links | |
|---|---|
| LipidBank | XPR1801 |
| LipidMaps | LMFA03010087 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF20407PG01.mol |
| PROSTAGLANDIN I2 | |
|---|---|
| |
| Structural Information | |
| Systematic Name | 5 (Z) - [ 7 (R) -Hydroxy-6 (R) - (3 (S) -hydroxyocten-1 (E) -yl) -1 (S) ,5 (R) -2-oxabicyclo [ 3.3.0 ] oct-3-ylidenpentanoic acid |
| Common Name |
|
| Symbol | |
| Formula | C20H32O5 |
| Exact Mass | 352.224974134 |
| Average Mass | 352.46508 |
| SMILES | C(CC[C@@H](O)C=C[C@H]([C@H]12)[C@H](O)C[C@H](OC(C2 |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | [a]D=78°(C=0.8820, CHCl3) <<1014>> |
| Solubility | |
| Spectral Information | |
| Mass Spectra | 11,15-BIS(TRIMETHYLSILYL) ETHER METHYL ESTER ; 495(M+-CH3), 479, 439, 423, 349, 327, 323, 315, 313, 199, 173 <<1014>> |
| UV Spectra | |
| IR Spectra | METHYL ESTER ; LIQUID MELT n 3370, 1740, 1695cm-1 <<1014>> |
| NMR Spectra | 1-H-NMR(D2O, GLYCINE BUFFER, pH10.4) : d 5.60(m, 2H, 13,14-CH), 4.66(m, 1H, 9-CH), 4.39(t, 1H, 5-CH), 4.15(q, 1H, 15-CH), 3.97(q, 1H, 11-CH), 2.20(t, 2H, 2-CH2) <<1013>> |
| Chromatograms | |
