LBF20207TX02: Difference between revisions
No edit summary |
No edit summary |
||
| Line 6: | Line 6: | ||
|SysName=7- [ Tetrahydro-4 (S) ,6-dihydroxy-2 (R) - (3 (S) -hydroxy-1 (E) -octenyl) -2H-pyran-3 (S) -yl ] -5 (Z) -heptenoic acid | |SysName=7- [ Tetrahydro-4 (S) ,6-dihydroxy-2 (R) - (3 (S) -hydroxy-1 (E) -octenyl) -2H-pyran-3 (S) -yl ] -5 (Z) -heptenoic acid | ||
|Common Name=&&THROMBOXANE B2&& | |Common Name=&&THROMBOXANE B2&& | ||
|Melting Point=95-96°C | |Melting Point=95-96°C [[Reference:Hanessian_S:Lavallee_P:,Can. J. Chem.,1977,55,562|{{RelationTable/GetFirstAuthor|Reference:Hanessian_S:Lavallee_P:,Can. J. Chem.,1977,55,562}}]] | ||
|Reflactive=[<FONT FACE="Symbol">a</FONT>]X<sub>D</sub><sup>25</sup>=57.4°(C=0.26 ETHYL ACETATE) | |Reflactive=[<FONT FACE="Symbol">a</FONT>]X<sub>D</sub><sup>25</sup>=57.4°(C=0.26 ETHYL ACETATE) [[Reference:Hanessian_S:Lavallee_P:,Can. J. Chem.,1977,55,562|{{RelationTable/GetFirstAuthor|Reference:Hanessian_S:Lavallee_P:,Can. J. Chem.,1977,55,562}}]] | ||
|Solubility=ETHYL ACETATE | |Solubility=ETHYL ACETATE | ||
|Mass Spectra=m/e 335, 317 | |Mass Spectra=m/e 335, 317 [[Reference:Hanessian_S:Lavallee_P:,Can. J. Chem.,1977,55,562|{{RelationTable/GetFirstAuthor|Reference:Hanessian_S:Lavallee_P:,Can. J. Chem.,1977,55,562}}]] | ||
|IR Spectra=FILM: <FONT FACE="Symbol">n</FONT> 3380, 1705cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP> | |IR Spectra=FILM: <FONT FACE="Symbol">n</FONT> 3380, 1705cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP> [[Reference:Hanessian_S:Lavallee_P:,Can. J. Chem.,1977,55,562|{{RelationTable/GetFirstAuthor|Reference:Hanessian_S:Lavallee_P:,Can. J. Chem.,1977,55,562}}]] | ||
|NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR(CDCl<SUB><FONT SIZE=-1>3</FONT></SUB>) : <FONT FACE="Symbol">d</FONT> 5.86(m, 1H, 14-CH), 5.72(m, 1H, 13-CH), 5.46(m, 2H, 5,6-CH), 5.35 and 5.23(m, 1H, 11-CH), 4.41(m, 1H, 12-CH), 4.22(m, 1H, 15-CH), 4.11(m, 1H, 9-CH), 2.35(t, 2H, 2-CH<SUB><FONT SIZE=-1>2</FONT></SUB>), 0.89(m, 3H, 20-CH<SUB><FONT SIZE=-1>3</FONT></SUB>) | |NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR(CDCl<SUB><FONT SIZE=-1>3</FONT></SUB>) : <FONT FACE="Symbol">d</FONT> 5.86(m, 1H, 14-CH), 5.72(m, 1H, 13-CH), 5.46(m, 2H, 5,6-CH), 5.35 and 5.23(m, 1H, 11-CH), 4.41(m, 1H, 12-CH), 4.22(m, 1H, 15-CH), 4.11(m, 1H, 9-CH), 2.35(t, 2H, 2-CH<SUB><FONT SIZE=-1>2</FONT></SUB>), 0.89(m, 3H, 20-CH<SUB><FONT SIZE=-1>3</FONT></SUB>) [[Reference:Kotovych_G:Aarts_GHM:,Can. J. Chem.,1980,58,1111|{{RelationTable/GetFirstAuthor|Reference:Kotovych_G:Aarts_GHM:,Can. J. Chem.,1980,58,1111}}]] | ||
}} | }} | ||
Revision as of 00:00, 12 December 2008
| IDs and Links | |
|---|---|
| LipidBank | XPR2101 |
| LipidMaps | LMFA03030002 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | {{{KNApSAcK}}} |
| mol | LBF20207TX02 |
| THROMBOXANE B2 | |
|---|---|
| |
| Structural Information | |
| 7- [ Tetrahydro-4 (S) ,6-dihydroxy-2 (R) - (3 (S) -hydroxy-1 (E) -octenyl) -2H-pyran-3 (S) -yl ] -5 (Z) -heptenoic acid | |
| |
| Formula | C20H34O6 |
| Exact Mass | 370.23553882 |
| Average Mass | 370.48036 |
| SMILES | C(CC[C@H](O)C=C[C@@H](O1)[C@@H]([C@@H](CC1O)O)CC=CCCCC(O)=O)CC |
| Physicochemical Information | |
| 95-96°C Hanessian_S et al. | |
| ETHYL ACETATE | |
| Spectral Information | |
| Mass Spectra | m/e 335, 317 HanessianSet al. |
| UV Spectra | |
| IR Spectra | FILM: n 3380, 1705cm-1 HanessianSet al. |
| NMR Spectra | 1H-NMR(CDCl3) : d 5.86(m, 1H, 14-CH), 5.72(m, 1H, 13-CH), 5.46(m, 2H, 5,6-CH), 5.35 and 5.23(m, 1H, 11-CH), 4.41(m, 1H, 12-CH), 4.22(m, 1H, 15-CH), 4.11(m, 1H, 9-CH), 2.35(t, 2H, 2-CH2), 0.89(m, 3H, 20-CH3) KotovychGet al. |
| Other Spectra | |
| Chromatograms | |
| Reported Metabolites, References | ||||||||||||||||||||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
|
