LBF20307PG05: Difference between revisions

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|Common Name=&&PROSTAGLANDIN C_2&&7- [ 2- (3 (S) -Hydroxy-1 (E) -octenyl) -5-oxo-2-cyclopenten-1 (R) -yl ] -5 (Z) -heptenoic acid&&
|Common Name=&&PROSTAGLANDIN C_2&&7- [ 2- (3 (S) -Hydroxy-1 (E) -octenyl) -5-oxo-2-cyclopenten-1 (R) -yl ] -5 (Z) -heptenoic acid&&
|Solubility=METHANOL, CHLOROFORM [[Reference:Corey_EJ:Cyr_CR:,Tetrah. Lett.,1974,,1761|{{RelationTable/GetFirstAuthor|Reference:Corey_EJ:Cyr_CR:,Tetrah. Lett.,1974,,1761}}]]
|Solubility=METHANOL, CHLOROFORM [[Reference:Corey_EJ:Cyr_CR:,Tetrah. Lett.,1974,,1761|{{RelationTable/GetFirstAuthor|Reference:Corey_EJ:Cyr_CR:,Tetrah. Lett.,1974,,1761}}]]
|Mass Spectra=METHYL ESTER; m/e 348(M<SUP><FONT SIZE=-1>+</FONT></SUP>), 330, 249, 245, 217, 215, 190, 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^+ ), 330, 249, 245, 217, 215, 190, 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=<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> = 234 nm (<FONT FACE="Symbol">e</FONT> 17000) [[Reference:Corey_EJ:Cyr_CR:,Tetrah. Lett.,1974,,1761|{{RelationTable/GetFirstAuthor|Reference:Corey_EJ:Cyr_CR:,Tetrah. Lett.,1974,,1761}}]]
|UV Spectra=lambda ^M_m _a _x  = 234 nm (epsilon 17000) [[Reference:Corey_EJ:Cyr_CR:,Tetrah. Lett.,1974,,1761|{{RelationTable/GetFirstAuthor|Reference:Corey_EJ:Cyr_CR:,Tetrah. Lett.,1974,,1761}}]]
|IR Spectra=CHLOROFORM solution, <FONT FACE="Symbol">n</FONT> 1750,1715 cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP> [[Reference:Corey_EJ:Cyr_CR:,Tetrah. Lett.,1974,,1761|{{RelationTable/GetFirstAuthor|Reference:Corey_EJ:Cyr_CR:,Tetrah. Lett.,1974,,1761}}]]
|IR Spectra=CHLOROFORM solution, nu 1750,1715 cm^- ^1 [[Reference:Corey_EJ:Cyr_CR:,Tetrah. Lett.,1974,,1761|{{RelationTable/GetFirstAuthor|Reference:Corey_EJ:Cyr_CR:,Tetrah. Lett.,1974,,1761}}]]
|NMR Spectra=METHYL ESTER ; <FONT FACE="Symbol">d</FONT> 6.3(d, J=16Hz, 1H, 13-CH), 6.1-5.95(m, 2H, 11-CH), 5,7(dd, J=6,16Hz, 1H, 14-CH), 5.7-5.1(m, 2H, 5,6-CH), 4.4-4.0(m, 1H, 15-CH), 3.69(S, 3H, OCH<SUB><FONT SIZE=-1>3</FONT></SUB>), 3.3-3.0(m, 1H,8-CH), 3.0-2.8(m, 2H, 10-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 ; delta 6.3(d, J=16Hz, 1H, 13-CH), 6.1-5.95(m, 2H, 11-CH), 5,7(dd, J=6,16Hz, 1H, 14-CH), 5.7-5.1(m, 2H, 5,6-CH), 4.4-4.0(m, 1H, 15-CH), 3.69(S, 3H, OCH_3 ), 3.3-3.0(m, 1H,8-CH), 3.0-2.8(m, 2H, 10-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}}]]
|Source=
|Source=
|Chemical Synthesis=[[Reference:Corey_EJ:Cyr_CR:,Tetrah. Lett.,1974,,1761|{{RelationTable/GetFirstAuthor|Reference:Corey_EJ:Cyr_CR:,Tetrah. Lett.,1974,,1761}}]] {{Image200|LBF20307PG05FT0001.gif}}
|Chemical Synthesis=[[Reference:Corey_EJ:Cyr_CR:,Tetrah. Lett.,1974,,1761|{{RelationTable/GetFirstAuthor|Reference:Corey_EJ:Cyr_CR:,Tetrah. Lett.,1974,,1761}}]] {{Image200|LBF20307PG05FT0001.gif}}

Revision as of 14:00, 19 February 2010

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Upper classes: LB LBF



PROSTAGLANDIN C2
LBF20307PG05.png
Structural Information
7- [ 2- (3 (S) -Hydroxy-1 (E) -octenyl) -5-oxo-2-cyclopenten-1 (R) -yl ] -5 (Z) -heptenoic acid
  • PROSTAGLANDIN C2
  • 7- [ 2- (3 (S) -Hydroxy-1 (E) -octenyl) -5-oxo-2-cyclopenten-1 (R) -yl ] -5 (Z) -heptenoic acid
PGC2
Formula C20H30O4
Exact Mass 334.21440944799997
Average Mass 334.4498
SMILES C(CC[C@@H](O)C=CC([C@H]1CC=CCCCC(O)=O)=CCC(=O)1)CC
Physicochemical Information
METHANOL, CHLOROFORM Corey_EJ et al.
Corey_EJ et al.
LBF20307PG05FT0001.gif
Prostaglandin A isomerase converts prostaglandin A2 to C2, and the enzyme is found in human serum Polet_H et al. and in the plasma of rabbit, cat, pig, dog and rat Jones_RL et al..
Spectral Information
Mass Spectra METHYL ESTER; m/e 348(M+), 330, 249, 245, 217, 215, 190, 133, 119, 109 Floyd_MB et al.
UV Spectra λ M
m
 ax = 234 nm (ε 17000) Corey_EJ et al.
IR Spectra CHLOROFORM solution, ν 1750,1715 cm-1 Corey_EJ et al.
NMR Spectra METHYL ESTER ; δ 6.3(d, J=16Hz, 1H, 13-CH), 6.1-5.95(m, 2H, 11-CH), 5,7(dd, J=6,16Hz, 1H, 14-CH), 5.7-5.1(m, 2H, 5,6-CH), 4.4-4.0(m, 1H, 15-CH), 3.69(S, 3H, OCH3), 3.3-3.0(m, 1H,8-CH), 3.0-2.8(m, 2H, 10-CH) Floyd_MB et al.
Other Spectra
Chromatograms
Reported Metabolites, References
Biospecies ID Compound Name Reference Comment
n.a. LBF20307PG05 See above. Corey_EJ et al. 1974
n.a. LBF20307PG05 See above. Floyd_MB et al. 1980
n.a. LBF20307PG05 See above. Jones_RL et al. 1972
n.a. LBF20307PG05 See above. Polet_H et al. 1975