LBF20303TX02
| IDs and Links | |
|---|---|
| LipidBank | XPR2102 |
| LipidMaps | LMFA03030006 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | {{{KNApSAcK}}} |
| mol | LBF20303TX02 |
| THROMBOXANE B3 | |
|---|---|
| |
| Structural Information | |
| 7- [ Tetrahydro-4 (S) ,6-dihydroxy-2 (R) - (3 (S) -hydroxy-1 (E) ,5 (Z) -octadienyl) -2H-pyran-3 (S) -yl ] -5 (Z) -heptenoic acid | |
| |
| 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](CC1O)O)CC=CCCCC(O)=O)CC |
| Physicochemical Information | |
| DIETHYL ETHER HambergM, ETHYL ACETATE, CHLOROFORM NakamuraNet al. | |
| Spectral Information | |
| Mass Spectra | FAB : m/e 351(M+1-H2O), 333, 315, 307 NakamuraNet al. |
| UV Spectra | |
| IR Spectra | FILM : n 3392, 3010, 2932, 1713, 1407, 1363, 1231, 1154, 1104, 1024, 973, 895 cm-1 NakamuraNet al. |
| NMR Spectra | 1H-NMR(CDCl3, TMS) : d 5.85(dd, J=17.5, 6.3Hz,1H, 14-CH), 5.71(dd, J=17.5, 7.5Hz, 1H, 13-CH), 5.55(td, J=20.0, 12.5Hz, 1H, 18-CH), 5.48-5.31(m, 4H, 5,6,11,17-CH), 4.41(dd, J=12.5, 7.5Hz, 1H, 12-CH), 4.23(dt, J=12.5, 6.3Hz, 1H, 15-CH), 4.08(m, 1H, 9-CH), 2.40-2.24(m, 4H, 4,16-CH), 2.18-1.96(m, 7H, 2,7,10,19-CH), 1.81(m, 2H, 3-CH), 1.74-1.63(m, 2H, 3-CH), 1.45(tdd, J=8.8, 5.0, 5.0Hz, 1H, 8-CH), 0.96(t, J=7.5Hz, 3H, 20-CH) NakamuraNet al. 13C-NMR(CDCl3) : 177.25, 136.52, 135.22, 130.75, 129.22, 127.49, 123.66, 123.59, 92.56, 71.58, 69.20, 64.95, 44.99, 36.01, 34.72, 32.89, 26.31, 24.80, 24.58, 24.58, 20.76, 14.21 NakamuraNet al. |
| Other Spectra | |
| Chromatograms | |
| Reported Metabolites, References | ||||||||||||||||||||
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