LBF25307PG01
From Metabolomics.JP
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | XPR8053 |
| LipidMaps | LMFA03010099 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF25307PG01.mol |
| 18-acetoxyprostaglandin F_2alpha -11-acetate methyl ester<<8046>> | |
|---|---|
| |
| Structural Information | |
| Systematic Name | methyl (5Z,13E) - (8R,9S,11R,12R,15S) -11,18-diacetoxy-9,15-dihydroxyprost-5,13-dienoate |
| Common Name |
|
| Symbol | |
| Formula | C25H40O8 |
| Exact Mass | 468.27231825599995 |
| Average Mass | 468.5803 |
| SMILES | CC(=O)OC(CC[C@@H](C=C[C@H]([C@H]1CC=CCCCC(OC)=O)[C |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | CIMS m/z 450 ([M-H2O]+, 5), 408(5), 390(12), 372(16), 348(20), 330(100), 312(66), 298(18), 280(20). <<8046>> |
| UV Spectra | |
| IR Spectra | nneat&max3470,1740,1730,1715,1465,1435,1375,1260,1030, and 970cm-1<<8046>> |
| NMR Spectra | 1H-NMR(270MHz,CDCl3)dppm0.90(3H,t,J=7.2Hz),2.04(3H,s),2.31(2H,t,J=7.0Hz),2.38(1H,ddd,J=15.3,9.0,5.5Hz),2.55(1H,ddd,J=10.8,8.4,6.8Hz),3.67(3H,s),4.08(1H,dt,J=5.6,4.0Hz),4.17(1H,dd,J=5.5,3.5Hz),4.82(1H,q,J=5.3Hz),4.90(1H,ddd,J=9.0,6.8,4.0Hz),5.40(2H,m),5.54(2H,m.<<8046>> |
| Chromatograms | |
