LBF20307PG01: Difference between revisions
No edit summary |
No edit summary |
||
| Line 6: | Line 6: | ||
|SysName=7- [ 2 (R) - (3 (S) -Hydroxy-1 (E) -octenyl) -5-oxo-3-cyclopenten-1 (R) -yl ] -5 (Z) -heptenoic acid | |SysName=7- [ 2 (R) - (3 (S) -Hydroxy-1 (E) -octenyl) -5-oxo-3-cyclopenten-1 (R) -yl ] -5 (Z) -heptenoic acid | ||
|Common Name=&&PROSTAGLANDIN A2&& | |Common Name=&&PROSTAGLANDIN A2&& | ||
|Reflactive=[<FONT FACE="Symbol">a</FONT>]X<sub>D</sub><sup>20</sup>=+140°(C=1.15, CHLOROFORM) | |Reflactive=[<FONT FACE="Symbol">a</FONT>]X<sub>D</sub><sup>20</sup>=+140°(C=1.15, CHLOROFORM) [[Reference:Corey_EJ:Moinet_G:,J. Am. Chem. Soc.,1973,95,6331|{{RelationTable/GetFirstAuthor|Reference:Corey_EJ:Moinet_G:,J. Am. Chem. Soc.,1973,95,6331}}]] | ||
|Solubility=ETHANOL, CHLOROFORM, METHANOL, DIETHYLETHER | |Solubility=ETHANOL, CHLOROFORM, METHANOL, DIETHYLETHER [[Reference:Pike_J_E:Lincoln_FH:Schneider_WP:,J. Org. Chem.,1969,34,3552|{{RelationTable/GetFirstAuthor|Reference:Pike_J_E:Lincoln_FH:Schneider_WP:,J. Org. Chem.,1969,34,3552}}]] | ||
|Mass Spectra=m/e 334(M<SUP><FONT SIZE=-1>+</FONT></SUP>), 316, 190 | |Mass Spectra=m/e 334(M<SUP><FONT SIZE=-1>+</FONT></SUP>), 316, 190 [[Reference:Pike_J_E:Lincoln_FH:Schneider_WP:,J. Org. Chem.,1969,34,3552|{{RelationTable/GetFirstAuthor|Reference:Pike_J_E:Lincoln_FH:Schneider_WP:,J. Org. Chem.,1969,34,3552}}]] | ||
|UV Spectra=EtOH: 217 nm (<FONT FACE="Symbol">e</FONT> 9900) | |UV Spectra=EtOH: 217 nm (<FONT FACE="Symbol">e</FONT> 9900) [[Reference:Pike_J_E:Lincoln_FH:Schneider_WP:,J. Org. Chem.,1969,34,3552|{{RelationTable/GetFirstAuthor|Reference:Pike_J_E:Lincoln_FH:Schneider_WP:,J. Org. Chem.,1969,34,3552}}]] | ||
|IR Spectra=NUJOL : <FONT FACE="Symbol">n</FONT> 3400, 1705, 1580, 1255, 1115, 1070, 1015 cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP> | |IR Spectra=NUJOL : <FONT FACE="Symbol">n</FONT> 3400, 1705, 1580, 1255, 1115, 1070, 1015 cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP> [[Reference:Pike_J_E:Lincoln_FH:Schneider_WP:,J. Org. Chem.,1969,34,3552|{{RelationTable/GetFirstAuthor|Reference:Pike_J_E:Lincoln_FH:Schneider_WP:,J. Org. Chem.,1969,34,3552}}]] | ||
|NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR(CDCl<SUB><FONT SIZE=-1>3</FONT></SUB>) : <FONT FACE="Symbol">d</FONT> 7.57(dd, 1H, 10-CH), 6.2(dd, 1H, 11-CH), 5.6(m, 2H, 13,14-CH), 5.4 (m, 2H, 5,6-CH), 4.12(1H, m, 12-CH), 3.23(m, 1H), 0.89(t, 3H, 0-CH3) | |NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR(CDCl<SUB><FONT SIZE=-1>3</FONT></SUB>) : <FONT FACE="Symbol">d</FONT> 7.57(dd, 1H, 10-CH), 6.2(dd, 1H, 11-CH), 5.6(m, 2H, 13,14-CH), 5.4 (m, 2H, 5,6-CH), 4.12(1H, m, 12-CH), 3.23(m, 1H), 0.89(t, 3H, 0-CH3) [[Reference:Schneider_WP:Bundy_GL:Lincoln_FH:Daniels_EG:Pike_JE:,J. Am. Chem. Soc.,1977,99,1222|{{RelationTable/GetFirstAuthor|Reference:Schneider_WP:Bundy_GL:Lincoln_FH:Daniels_EG:Pike_JE:,J. Am. Chem. Soc.,1977,99,1222}}]]. METHYL ESTER : <SUP><FONT SIZE=-1>1</FONT></SUP><SUP><FONT SIZE=-1>3</FONT></SUP>C-NMR(CDCl3) 210.3, 174.0, 165.0, 135.2, 133.3, 131.0, 130.2, 126.7, 72.4, 52.1, 51.5, 49.6, 37.3, 33.5, 31.8, 27.4, 26.7, 25.1, 24.8, 22.6, 14.0 [[Reference:Cooper_GF:Fried_J:,Proc. Natl. Acad. Sci. U. S. A.,1973,70,1579|{{RelationTable/GetFirstAuthor|Reference:Cooper_GF:Fried_J:,Proc. Natl. Acad. Sci. U. S. A.,1973,70,1579}}]] | ||
}} | }} | ||
Revision as of 00:00, 12 December 2008
| IDs and Links | |
|---|---|
| LipidBank | XPR1001 |
| LipidMaps | LMFA03010035 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | {{{KNApSAcK}}} |
| mol | LBF20307PG01 |
| PROSTAGLANDIN A2 | |
|---|---|
| |
| Structural Information | |
| 7- [ 2 (R) - (3 (S) -Hydroxy-1 (E) -octenyl) -5-oxo-3-cyclopenten-1 (R) -yl ] -5 (Z) -heptenoic acid | |
| |
| Formula | C20H30O4 |
| Exact Mass | 334.21440944799997 |
| Average Mass | 334.4498 |
| SMILES | C(CC[C@@H](O)C=C[C@H]([C@H]1CC=CCCCC(O)=O)C=CC(=O)1)CC |
| Physicochemical Information | |
| ETHANOL, CHLOROFORM, METHANOL, DIETHYLETHER Pike_JEet al. | |
| Spectral Information | |
| Mass Spectra | m/e 334(M+), 316, 190 Pike_JEet al. |
| UV Spectra | EtOH: 217 nm (e 9900) Pike_JEet al. |
| IR Spectra | NUJOL : n 3400, 1705, 1580, 1255, 1115, 1070, 1015 cm-1 Pike_JEet al. |
| NMR Spectra | 1H-NMR(CDCl3) : d 7.57(dd, 1H, 10-CH), 6.2(dd, 1H, 11-CH), 5.6(m, 2H, 13,14-CH), 5.4 (m, 2H, 5,6-CH), 4.12(1H, m, 12-CH), 3.23(m, 1H), 0.89(t, 3H, 0-CH3) Schneider_WP et al.. METHYL ESTER : 13C-NMR(CDCl3) 210.3, 174.0, 165.0, 135.2, 133.3, 131.0, 130.2, 126.7, 72.4, 52.1, 51.5, 49.6, 37.3, 33.5, 31.8, 27.4, 26.7, 25.1, 24.8, 22.6, 14.0 Cooper_GF et al. |
| Other Spectra | |
| Chromatograms | |
| Reported Metabolites, References | |||||||||||||||||||||||||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
|
