LBF20307PG03: Difference between revisions
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|LipidMaps=LMFA03010018 | |LipidMaps=LMFA03010018 | ||
|SysName=7- [ 2- (3 (S) -Hydroxy-1 (E) -octenyl) -5-oxo-1-cyclopenten-1-yl ] -5 (Z) -heptenoic acid | |SysName=7- [ 2- (3 (S) -Hydroxy-1 (E) -octenyl) -5-oxo-1-cyclopenten-1-yl ] -5 (Z) -heptenoic acid | ||
|Common Name=&&PROSTAGLANDIN B_2&& | |Common Name=&&PROSTAGLANDIN B_2&&7- [ 2- (3 (S) -Hydroxy-1 (E) -octenyl) -5-oxo-1-cyclopenten-1-yl ] -5 (Z) -heptenoic acid&& | ||
|Mass Spectra=METHYL ESTER; m/e 348(M<SUP><FONT SIZE=-1>+</FONT></SUP>), 317, 249, 247, 245, 217, 215, 133, 119, 109 [[Reference:Floyd_MB:Schaub_RE:Siuta_GJ:Skotnicki_JS:Grudzinskas_CV:Weiss_MJ:Dessy_F:VanHumbeeck_L:,J. Med. Chem.,1980,23,903|{{RelationTable/GetFirstAuthor|Reference:Floyd_MB:Schaub_RE:Siuta_GJ:Skotnicki_JS:Grudzinskas_CV:Weiss_MJ:Dessy_F:VanHumbeeck_L:,J. Med. Chem.,1980,23,903}}]] | |Mass Spectra=METHYL ESTER; m/e 348(M<SUP><FONT SIZE=-1>+</FONT></SUP>), 317, 249, 247, 245, 217, 215, 133, 119, 109 [[Reference:Floyd_MB:Schaub_RE:Siuta_GJ:Skotnicki_JS:Grudzinskas_CV:Weiss_MJ:Dessy_F:VanHumbeeck_L:,J. Med. Chem.,1980,23,903|{{RelationTable/GetFirstAuthor|Reference:Floyd_MB:Schaub_RE:Siuta_GJ:Skotnicki_JS:Grudzinskas_CV:Weiss_MJ:Dessy_F:VanHumbeeck_L:,J. Med. Chem.,1980,23,903}}]] | ||
|UV Spectra=MeOH: 278 nm (<FONT FACE="Symbol">e</FONT> 26000) [[Reference:Floyd_MB:Schaub_RE:Siuta_GJ:Skotnicki_JS:Grudzinskas_CV:Weiss_MJ:Dessy_F:VanHumbeeck_L:,J. Med. Chem.,1980,23,903|{{RelationTable/GetFirstAuthor|Reference:Floyd_MB:Schaub_RE:Siuta_GJ:Skotnicki_JS:Grudzinskas_CV:Weiss_MJ:Dessy_F:VanHumbeeck_L:,J. Med. Chem.,1980,23,903}}]] | |UV Spectra=MeOH: 278 nm (<FONT FACE="Symbol">e</FONT> 26000) [[Reference:Floyd_MB:Schaub_RE:Siuta_GJ:Skotnicki_JS:Grudzinskas_CV:Weiss_MJ:Dessy_F:VanHumbeeck_L:,J. Med. Chem.,1980,23,903|{{RelationTable/GetFirstAuthor|Reference:Floyd_MB:Schaub_RE:Siuta_GJ:Skotnicki_JS:Grudzinskas_CV:Weiss_MJ:Dessy_F:VanHumbeeck_L:,J. Med. Chem.,1980,23,903}}]] | ||
|NMR Spectra=METHYL ESTER ; <SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR : <FONT FACE="Symbol">d</FONT> 6.9(d, J=16Hz, 1H, 13-CH), 6.3(dd, J=5.5, 16Hz, 1H,14-CH), 5.7-5.1(m, 2H), 4.5-4.1(m, 1H, 15-CH), 3.65(S, 3H, OCH3), 3.15-2.85(m, 2H, 7-CH) [[Reference:Floyd_MB:Schaub_RE:Siuta_GJ:Skotnicki_JS:Grudzinskas_CV:Weiss_MJ:Dessy_F:VanHumbeeck_L:,J. Med. Chem.,1980,23,903|{{RelationTable/GetFirstAuthor|Reference:Floyd_MB:Schaub_RE:Siuta_GJ:Skotnicki_JS:Grudzinskas_CV:Weiss_MJ:Dessy_F:VanHumbeeck_L:,J. Med. Chem.,1980,23,903}}]] | |NMR Spectra=METHYL ESTER ; <SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR : <FONT FACE="Symbol">d</FONT> 6.9(d, J=16Hz, 1H, 13-CH), 6.3(dd, J=5.5, 16Hz, 1H,14-CH), 5.7-5.1(m, 2H), 4.5-4.1(m, 1H, 15-CH), 3.65(S, 3H, OCH3), 3.15-2.85(m, 2H, 7-CH) [[Reference:Floyd_MB:Schaub_RE:Siuta_GJ:Skotnicki_JS:Grudzinskas_CV:Weiss_MJ:Dessy_F:VanHumbeeck_L:,J. Med. Chem.,1980,23,903|{{RelationTable/GetFirstAuthor|Reference:Floyd_MB:Schaub_RE:Siuta_GJ:Skotnicki_JS:Grudzinskas_CV:Weiss_MJ:Dessy_F:VanHumbeeck_L:,J. Med. Chem.,1980,23,903}}]] | ||
}} | }} | ||
Revision as of 00:01, 20 December 2008
| IDs and Links | |
|---|---|
| LipidBank | XPR1101 |
| LipidMaps | LMFA03010018 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | {{{KNApSAcK}}} |
| mol | LBF20307PG03 |
| PROSTAGLANDIN B2 | |
|---|---|
| |
| Structural Information | |
| 7- [ 2- (3 (S) -Hydroxy-1 (E) -octenyl) -5-oxo-1-cyclopenten-1-yl ] -5 (Z) -heptenoic acid | |
| |
| Formula | C20H30O4 |
| Exact Mass | 334.21440944799997 |
| Average Mass | 334.4498 |
| SMILES | C(CC[C@@H](O)C=CC(=C1CC=CCCCC(O)=O)CCC(=O)1)CC |
| Physicochemical Information | |
| Spectral Information | |
| Mass Spectra | METHYL ESTER; m/e 348(M+), 317, 249, 247, 245, 217, 215, 133, 119, 109 Floyd_MB et al. |
| UV Spectra | MeOH: 278 nm (e 26000) Floyd_MB et al. |
| IR Spectra | |
| NMR Spectra | METHYL ESTER ; 1H-NMR : d 6.9(d, J=16Hz, 1H, 13-CH), 6.3(dd, J=5.5, 16Hz, 1H,14-CH), 5.7-5.1(m, 2H), 4.5-4.1(m, 1H, 15-CH), 3.65(S, 3H, OCH3), 3.15-2.85(m, 2H, 7-CH) Floyd_MB et al. |
| Other Spectra | |
| Chromatograms | |
| Reported Metabolites, References | |||||||||||||||||||||||||
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