LBF20307TX03
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
|LipidBank=XPR2121 | |LipidBank=XPR2121 | ||
Latest revision as of 09:00, 1 October 2008
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | XPR2121 |
| LipidMaps | LMFA03030004 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF20307TX03.mol |
| 11-DEHYDROTHROMBOXANE B2 | |
|---|---|
| |
| Structural Information | |
| Systematic Name | 7- [ Tetrahydro-4 (S) -hydroxy-2 (R) - (3 (S) -hydroxy-1 (E) -octenyl) -6-oxo-2H-pyran-3 (S) -yl ] -5 (Z) -heptenoic acid |
| Common Name |
|
| Symbol | |
| Formula | C20H32O6 |
| Exact Mass | 368.219888756 |
| Average Mass | 368.46448 |
| SMILES | C(CC[C@@H](O)C=C[C@@H](O1)[C@H]([C@H](CC1=O)O)CC=C |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | METHANOL, ETHYL ACETATE <<1058>> |
| Spectral Information | |
| Mass Spectra | METHYL ESTER BIS-TMS ETHER ; m/e 526(M+), 511, 455, 370, 295 <<1057>> |
| UV Spectra | |
| IR Spectra | METHYL ESTER ; CHLOROFORM solution, n 1730 cm-1 <<1057>> |
| NMR Spectra | METHYL ESTER ; 1H-NMR(CDCl3) : d 5.86-5.78(m, 2H), 5.56-5.32(m, 2H), 5.13-4.72(m, 1H), 5.23-4.05(m, 2H), 3.67(S, 3H, OCH3)<<1057>> |
| Chromatograms | |
