LBF20307PG38: Difference between revisions
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|SysName=7- [ 2 (R) - (3 (S) -Hydroxy-1 (E) -octenyl) -3-oxo-4-cyclopenten-1 (R) -yl ] -5 (Z) -heptenoic acid | |SysName=7- [ 2 (R) - (3 (S) -Hydroxy-1 (E) -octenyl) -3-oxo-4-cyclopenten-1 (R) -yl ] -5 (Z) -heptenoic acid | ||
|Common Name=&&PROSTAGLANDIN J2&& | |Common Name=&&PROSTAGLANDIN J2&& | ||
|Solubility= | |Solubility=ACETONITRILECHLOROFORM, ETHANOL [[Reference:Bundy_GL:Morton_DR:Peterson_DC:Nishizawa_EE:Miller_WL:,J. Med. Chem.,1983,26,790|{{RelationTable/GetFirstAuthor|Reference:Bundy_GL:Morton_DR:Peterson_DC:Nishizawa_EE:Miller_WL:,J. Med. Chem.,1983,26,790}}]] | ||
|Mass Spectra=TMS ETHER ; M<SUP><FONT SIZE=-1>+</FONT></SUP> 478.2934 | |Mass Spectra=TMS ETHER ; M<SUP><FONT SIZE=-1>+</FONT></SUP> 478.2934 [[Reference:Bundy_GL:Morton_DR:Peterson_DC:Nishizawa_EE:Miller_WL:,J. Med. Chem.,1983,26,790|{{RelationTable/GetFirstAuthor|Reference:Bundy_GL:Morton_DR:Peterson_DC:Nishizawa_EE:Miller_WL:,J. Med. Chem.,1983,26,790}}]] | ||
|UV Spectra=<FONT FACE="Symbol">l</FONT> <SUP><FONT SIZE=-1>M</FONT></SUP><SUP><FONT SIZE=-1>e</FONT></SUP><SUP><FONT SIZE=-1>O</FONT></SUP><SUP><FONT SIZE=-1>H</FONT></SUP><SUB><FONT SIZE=-1>m</FONT></SUB><SUB><FONT SIZE=-1>a</FONT></SUB><SUB><FONT SIZE=-1>x</FONT></SUB> = 305(<FONT FACE="Symbol">e</FONT> 1200), 216(<FONT FACE="Symbol">e</FONT> 9900)nm | |UV Spectra=<FONT FACE="Symbol">l</FONT> <SUP><FONT SIZE=-1>M</FONT></SUP><SUP><FONT SIZE=-1>e</FONT></SUP><SUP><FONT SIZE=-1>O</FONT></SUP><SUP><FONT SIZE=-1>H</FONT></SUP><SUB><FONT SIZE=-1>m</FONT></SUB><SUB><FONT SIZE=-1>a</FONT></SUB><SUB><FONT SIZE=-1>x</FONT></SUB> = 305(<FONT FACE="Symbol">e</FONT> 1200), 216(<FONT FACE="Symbol">e</FONT> 9900)nm [[Reference:Bundy_GL:Morton_DR:Peterson_DC:Nishizawa_EE:Miller_WL:,J. Med. Chem.,1983,26,790|{{RelationTable/GetFirstAuthor|Reference:Bundy_GL:Morton_DR:Peterson_DC:Nishizawa_EE:Miller_WL:,J. Med. Chem.,1983,26,790}}]] | ||
|IR Spectra=<FONT FACE="Symbol">n</FONT> 3400, 3200, 2660, 1710, 1085, 970 cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP> | |IR Spectra=<FONT FACE="Symbol">n</FONT> 3400, 3200, 2660, 1710, 1085, 970 cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP> [[Reference:Bundy_GL:Morton_DR:Peterson_DC:Nishizawa_EE:Miller_WL:,J. Med. Chem.,1983,26,790|{{RelationTable/GetFirstAuthor|Reference:Bundy_GL:Morton_DR:Peterson_DC:Nishizawa_EE:Miller_WL:,J. Med. Chem.,1983,26,790}}]] | ||
|NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR(CDCl<SUB><FONT SIZE=-1>3</FONT></SUB>) : <FONT FACE="Symbol">d</FONT> 7.75-7.55(m, 1H, 9-CH), 6.30-6.10(m, 1H, 10-CH), 5.90(brs, 2H, OH), 5.75-5.35(m, 4H), 4.30-3.95(m, 1H, 15-CH) | |NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR(CDCl<SUB><FONT SIZE=-1>3</FONT></SUB>) : <FONT FACE="Symbol">d</FONT> 7.75-7.55(m, 1H, 9-CH), 6.30-6.10(m, 1H, 10-CH), 5.90(brs, 2H, OH), 5.75-5.35(m, 4H), 4.30-3.95(m, 1H, 15-CH) [[Reference:Bundy_GL:Morton_DR:Peterson_DC:Nishizawa_EE:Miller_WL:,J. Med. Chem.,1983,26,790|{{RelationTable/GetFirstAuthor|Reference:Bundy_GL:Morton_DR:Peterson_DC:Nishizawa_EE:Miller_WL:,J. Med. Chem.,1983,26,790}}]] | ||
}} | }} |
Revision as of 00:00, 12 December 2008
IDs and Links | |
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LipidBank | XPR1901 |
LipidMaps | LMFA03010019 |
CAS | |
KEGG | {{{KEGG}}} |
KNApSAcK | {{{KNApSAcK}}} |
mol | LBF20307PG38 |
PROSTAGLANDIN J2 | |
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Structural Information | |
7- [ 2 (R) - (3 (S) -Hydroxy-1 (E) -octenyl) -3-oxo-4-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(=O)1)[C@@H](CC=CCCCC(O)=O)C=C1)CC |
Physicochemical Information | |
ACETONITRILECHLOROFORM, ETHANOL Bundy_GL et al. | |
Spectral Information | |
Mass Spectra | TMS ETHER ; M+ 478.2934 Bundy_GL et al. |
UV Spectra | l MeOHmax = 305(e 1200), 216(e 9900)nm Bundy_GL et al. |
IR Spectra | n 3400, 3200, 2660, 1710, 1085, 970 cm-1 Bundy_GL et al. |
NMR Spectra | 1H-NMR(CDCl3) : d 7.75-7.55(m, 1H, 9-CH), 6.30-6.10(m, 1H, 10-CH), 5.90(brs, 2H, OH), 5.75-5.35(m, 4H), 4.30-3.95(m, 1H, 15-CH) Bundy_GL et al. |
Other Spectra | |
Chromatograms |
Reported Metabolites, References | ||||||||||||||||||||
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