LBF20303PG03: Difference between revisions
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|SysName=7- [ 3 (R) -Hydroxy-2 (R) - (3 (S) -hydroxyocta-1 (E) ,5 (Z) -dienyl) -5-oxocyclopentan-1 (R) -yl ] -5 (Z) -heptenoic acid / (5Z,8R,11R,12R,13E,15S,17Z) -11,15-Dihydroxy-9-oxo-5,13,17-prostatrienoic acid | |SysName=7- [ 3 (R) -Hydroxy-2 (R) - (3 (S) -hydroxyocta-1 (E) ,5 (Z) -dienyl) -5-oxocyclopentan-1 (R) -yl ] -5 (Z) -heptenoic acid / (5Z,8R,11R,12R,13E,15S,17Z) -11,15-Dihydroxy-9-oxo-5,13,17-prostatrienoic acid | ||
|Common Name=&&PROSTAGLANDIN E3&& | |Common Name=&&PROSTAGLANDIN E3&& | ||
|Melting Point=84.5-85.5°C | |Melting Point=84.5-85.5°C | ||
|Reflactive=[<FONT FACE="Symbol">a</FONT>]X<sub>D</sub><sup>24</sup>=-48.9°(C=1.2, TETRAHYDROFURAN) | |Reflactive=[<FONT FACE="Symbol">a</FONT>]X<sub>D</sub><sup>24</sup>=-48.9°(C=1.2, TETRAHYDROFURAN) [[Reference:Corey_EJ:Shirahama_H:Yamamoto_H:Terashima_S:Venkateswarlu_A:Schaaf_TK:,J. Am. Chem. Soc.,1971,93,1490|{{RelationTable/GetFirstAuthor|Reference:Corey_EJ:Shirahama_H:Yamamoto_H:Terashima_S:Venkateswarlu_A:Schaaf_TK:,J. Am. Chem. Soc.,1971,93,1490}}]] | ||
|Solubility=TETRAHYDROFURAN | |Solubility=TETRAHYDROFURAN [[Reference:Corey_EJ:Shirahama_H:Yamamoto_H:Terashima_S:Venkateswarlu_A:Schaaf_TK:,J. Am. Chem. Soc.,1971,93,1490|{{RelationTable/GetFirstAuthor|Reference:Corey_EJ:Shirahama_H:Yamamoto_H:Terashima_S:Venkateswarlu_A:Schaaf_TK:,J. Am. Chem. Soc.,1971,93,1490}}]] | ||
|Mass Spectra=METHYL ESTER ; m/e 346(M-18), 328(M-18x2), 315, 297, 277, 259, 188 | |Mass Spectra=METHYL ESTER ; m/e 346(M-18), 328(M-18x2), 315, 297, 277, 259, 188 [[Reference:Bergstroem_S:Dressler_F:Ryhage_R:Samuelsson_B:Sjoevall_J:,Ark. Kemi.,1962,19,563|{{RelationTable/GetFirstAuthor|Reference:Bergstroem_S:Dressler_F:Ryhage_R:Samuelsson_B:Sjoevall_J:,Ark. Kemi.,1962,19,563}}]] | ||
|NMR Spectra=METHYL ESTER ; <SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR(CDCl<SUB><FONT SIZE=-1>3</FONT></SUB>) : <FONT FACE="Symbol">d</FONT> 5.8-5.5(m, 2H,13, 14-CH), 5.5-5.2(m, 4H, 5,6,17,18-CH), 4.4-3.8(m, 2H, 11,15-CH), 0.95(t, 3H, 20-CH) | |NMR Spectra=METHYL ESTER ; <SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR(CDCl<SUB><FONT SIZE=-1>3</FONT></SUB>) : <FONT FACE="Symbol">d</FONT> 5.8-5.5(m, 2H,13, 14-CH), 5.5-5.2(m, 4H, 5,6,17,18-CH), 4.4-3.8(m, 2H, 11,15-CH), 0.95(t, 3H, 20-CH) [[Reference:Samuelsson_B:,J. Am. Chem. Soc.,1963,85,1878|{{RelationTable/GetFirstAuthor|Reference:Samuelsson_B:,J. Am. Chem. Soc.,1963,85,1878}}]] | ||
}} | }} | ||
Revision as of 00:00, 12 December 2008
| IDs and Links | |
|---|---|
| LipidBank | XPR1402 |
| LipidMaps | LMFA03010135 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | {{{KNApSAcK}}} |
| mol | LBF20303PG03 |
| PROSTAGLANDIN E3 | |
|---|---|
| |
| Structural Information | |
| 7- [ 3 (R) -Hydroxy-2 (R) - (3 (S) -hydroxyocta-1 (E) ,5 (Z) -dienyl) -5-oxocyclopentan-1 (R) -yl ] -5 (Z) -heptenoic acid / (5Z,8R,11R,12R,13E,15S,17Z) -11,15-Dihydroxy-9-oxo-5,13,17-prostatrienoic acid | |
| |
| Formula | C20H30O5 |
| Exact Mass | 350.20932407 |
| Average Mass | 350.4492 |
| SMILES | C(=CC[C@@H](O)C=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@@H](CC1=O)O)CC |
| Physicochemical Information | |
| 84.5-85.5°C | |
| TETRAHYDROFURAN Corey_EJ et al. | |
| Spectral Information | |
| Mass Spectra | METHYL ESTER ; m/e 346(M-18), 328(M-18x2), 315, 297, 277, 259, 188 BergstroemSet al. |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | METHYL ESTER ; 1H-NMR(CDCl3) : d 5.8-5.5(m, 2H,13, 14-CH), 5.5-5.2(m, 4H, 5,6,17,18-CH), 4.4-3.8(m, 2H, 11,15-CH), 0.95(t, 3H, 20-CH) SamuelssonB |
| Other Spectra | |
| Chromatograms | |
| Reported Metabolites, References | ||||||||||||||||||||||||||||||||||||||||
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