LBF18307TX01
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
|LipidBank=XPR2111 | |LipidBank=XPR2111 | ||
Latest revision as of 09:00, 1 October 2008
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | XPR2111 |
| LipidMaps | LMFA03030003 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF18307TX01.mol |
| 2,3-DINORTHROMBOXANE B2 | |
|---|---|
| |
| Structural Information | |
| Systematic Name | 5- [ Tetrahydro-4 (S) ,6-dihydroxy-2 (R) - (3 (S) -hydroxy-1 (E) -octenyl) -2H-pyran-3 (S) -yl ] -3 (Z) -pentenoic acid |
| Common Name |
|
| Symbol | |
| Formula | C18H30O6 |
| Exact Mass | 342.204238692 |
| Average Mass | 342.42719999999997 |
| SMILES | [C@@H]([C@@H](CC=CCC(O)=O)1)(C=C[C@H](O)CCCCC)OC(O |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | ETHYL ACETATE, DIETHYL ETHER, DICHLOROMETHANE <<1057>> |
| Spectral Information | |
| Mass Spectra | METHYL ESTER TRIS-TMS ETHER ; m/e 557, 482, 467, 411, 338, 301, 295, 267, 228, 225, 217 <<1056>> |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | METHYL ESTER ; 1H-NMR(CDCl3) : d 5.77-5.0(m, 6H), 4.50-3.96(m, 5H), 3.71(s, 3H, OCH3), 3.20-3.00(m, 2H) <<1057>> |
| Chromatograms | |
