LBF20107PG01: Difference between revisions

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|SysName=7- [ 3 (R) -Hydroxy-2 (R) - (3 (S) -hydroxy-1 (E) -octenyl) -5-oxocyclopentan-1 (R) -yl ] -heptanoic acid / (8R,11R,12R,13E,15S) -11,15-Dihydroxy-9-oxo-13-prostenoic acid
|SysName=7- [ 3 (R) -Hydroxy-2 (R) - (3 (S) -hydroxy-1 (E) -octenyl) -5-oxocyclopentan-1 (R) -yl ] -heptanoic acid / (8R,11R,12R,13E,15S) -11,15-Dihydroxy-9-oxo-13-prostenoic acid
|Common Name=&&PROSTAGLANDIN E1&&
|Common Name=&&PROSTAGLANDIN E1&&
|Melting Point=115-117°C <<1107>>
|Melting Point=115-117°C  
|Reflactive=[<FONT FACE="Symbol">a</FONT>]<SUB><FONT SIZE=-1>5</FONT></SUB><SUB><FONT SIZE=-1>7</FONT></SUB><SUB><FONT SIZE=-1>8</FONT></SUB>=-61.6°(C=0.56, TETRAHYDROFURAN) <<1108>>
|Reflactive=[<FONT FACE="Symbol">a</FONT>]<SUB><FONT SIZE=-1>5</FONT></SUB><SUB><FONT SIZE=-1>7</FONT></SUB><SUB><FONT SIZE=-1>8</FONT></SUB>=-61.6°(C=0.56, TETRAHYDROFURAN) [[Reference:Corey_EJ:Vlattas_I:Harding_K:,J. Am. Chem. Soc.,1969,91,535|{{RelationTable/GetFirstAuthor|Reference:Corey_EJ:Vlattas_I:Harding_K:,J. Am. Chem. Soc.,1969,91,535}}]]
|Solubility=DIETHYL ETHER, ETHYL ACETATE <<1107>>, METHANOL <<1106>>, TETRAHYDROFURAN <<1108>>
|Solubility=DIETHYL ETHER, ETHYL ACETATE , METHANOL [[Reference:Struijk_MCB:Beerthuis_RK:Pabon_HJJ:Van_Dorp_DA:,Recueil Travaux Quimiq Pays Bas,1966,85,1233|{{RelationTable/GetFirstAuthor|Reference:Struijk_MCB:Beerthuis_RK:Pabon_HJJ:Van_Dorp_DA:,Recueil Travaux Quimiq Pays Bas,1966,85,1233}}]], TETRAHYDROFURAN [[Reference:Corey_EJ:Vlattas_I:Harding_K:,J. Am. Chem. Soc.,1969,91,535|{{RelationTable/GetFirstAuthor|Reference:Corey_EJ:Vlattas_I:Harding_K:,J. Am. Chem. Soc.,1969,91,535}}]]
|Mass Spectra=METHYL ESTER ; m/e 350, 332, 319, 301, 279 <<1104>>
|Mass Spectra=METHYL ESTER ; m/e 350, 332, 319, 301, 279 [[Reference:Hamberg_M:Samuelsson_B:,J. Biol. Chem.,1966,241,257|{{RelationTable/GetFirstAuthor|Reference:Hamberg_M:Samuelsson_B:,J. Biol. Chem.,1966,241,257}}]]
|IR Spectra=METHYL ESTER ; <FONT FACE="Symbol">n</FONT> 1726, 1717sh, 1699, 980 cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP> <<1109>>
|IR Spectra=METHYL ESTER ; <FONT FACE="Symbol">n</FONT> 1726, 1717sh, 1699, 980 cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP> [[Reference:Hayashi_M:Miyamoto_T:,Metabolism and Disease (Taisha),1975,12,1461|{{RelationTable/GetFirstAuthor|Reference:Hayashi_M:Miyamoto_T:,Metabolism and Disease (Taisha),1975,12,1461}}]]
|NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR(CDCl<SUB><FONT SIZE=-1>3</FONT></SUB>+DMSO-d<SUB><FONT SIZE=-1>6</FONT></SUB>,TMS) : <FONT FACE="Symbol">d</FONT> 5.70-5.51(m, 2H), 4.14-3.86(m, 2H), 2.72(d,d, 1H)<<1109>>. <SUP><FONT SIZE=-1>1</FONT></SUP><SUP><FONT SIZE=-1>3</FONT></SUP>C-NMR(CHCl<SUB><FONT SIZE=-1>3</FONT></SUB>-CH<SUB><FONT SIZE=-1>3</FONT></SUB>OH, TMS) : <FONT FACE="Symbol">d</FONT> 215.2(C-9), 176.7(C-1), 136.6(C-14), 131.9(C-13), 72.9(C-15), 71.6(C-11), 54.6(C-8), 54.2(C-12), 45.9(C-10), 36.9(C-16), 33.8(C-2), 31.5(C-18), 29.0(C-4), 28.6(C-5), 27.4(C-7), 26.3(C-6), 25.0(C-17), 24.5(C-3), 22.5(C-19), 13.8(C-20) <<1008>>
|NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR(CDCl<SUB><FONT SIZE=-1>3</FONT></SUB>+DMSO-d<SUB><FONT SIZE=-1>6</FONT></SUB>,TMS) : <FONT FACE="Symbol">d</FONT> 5.70-5.51(m, 2H), 4.14-3.86(m, 2H), 2.72(d,d, 1H)[[Reference:Hayashi_M:Miyamoto_T:,Metabolism and Disease (Taisha),1975,12,1461|{{RelationTable/GetFirstAuthor|Reference:Hayashi_M:Miyamoto_T:,Metabolism and Disease (Taisha),1975,12,1461}}]]. <SUP><FONT SIZE=-1>1</FONT></SUP><SUP><FONT SIZE=-1>3</FONT></SUP>C-NMR(CHCl<SUB><FONT SIZE=-1>3</FONT></SUB>-CH<SUB><FONT SIZE=-1>3</FONT></SUB>OH, TMS) : <FONT FACE="Symbol">d</FONT> 215.2(C-9), 176.7(C-1), 136.6(C-14), 131.9(C-13), 72.9(C-15), 71.6(C-11), 54.6(C-8), 54.2(C-12), 45.9(C-10), 36.9(C-16), 33.8(C-2), 31.5(C-18), 29.0(C-4), 28.6(C-5), 27.4(C-7), 26.3(C-6), 25.0(C-17), 24.5(C-3), 22.5(C-19), 13.8(C-20) [[Reference:Lukacs_G:Piriou_F:Gero_SD:,Tetrah. Lett.,1973,,515|{{RelationTable/GetFirstAuthor|Reference:Lukacs_G:Piriou_F:Gero_SD:,Tetrah. Lett.,1973,,515}}]]
}}
}}

Revision as of 00:00, 12 December 2008


Upper classes: LB LBF



IDs and Links
LipidBank XPR1400
LipidMaps LMFA03010134
CAS
KEGG {{{KEGG}}}
KNApSAcK {{{KNApSAcK}}}
mol LBF20107PG01
PROSTAGLANDIN E1
LBF20107PG01.png
Structural Information
7- [ 3 (R) -Hydroxy-2 (R) - (3 (S) -hydroxy-1 (E) -octenyl) -5-oxocyclopentan-1 (R) -yl ] -heptanoic acid / (8R,11R,12R,13E,15S) -11,15-Dihydroxy-9-oxo-13-prostenoic acid
  • PROSTAGLANDIN E1
Formula C20H34O5
Exact Mass 354.240624198
Average Mass 354.48096000000004
SMILES C(CC[C@@H](O)C=C[C@H]([C@H]1CCCCCCC(O)=O)[C@@H](CC1=O)O)CC
Physicochemical Information
115-117°C
DIETHYL ETHER, ETHYL ACETATE , METHANOL Struijk_MCB et al., TETRAHYDROFURAN Corey_EJ et al.
Spectral Information
Mass Spectra METHYL ESTER ; m/e 350, 332, 319, 301, 279 HambergMet al.
UV Spectra
IR Spectra METHYL ESTER ; n 1726, 1717sh, 1699, 980 cm-1 HayashiMet al.
NMR Spectra 1H-NMR(CDCl3+DMSO-d6,TMS) : d 5.70-5.51(m, 2H), 4.14-3.86(m, 2H), 2.72(d,d, 1H) HayashiMet al.. 13C-NMR(CHCl3-CH3OH, TMS) : d 215.2(C-9), 176.7(C-1), 136.6(C-14), 131.9(C-13), 72.9(C-15), 71.6(C-11), 54.6(C-8), 54.2(C-12), 45.9(C-10), 36.9(C-16), 33.8(C-2), 31.5(C-18), 29.0(C-4), 28.6(C-5), 27.4(C-7), 26.3(C-6), 25.0(C-17), 24.5(C-3), 22.5(C-19), 13.8(C-20) LukacsGet al.
Other Spectra
Chromatograms
Reported Metabolites, References
Biospecies ID Compound Name Reference Comment
n.a. LBF20107PG01 See above. Bergstrom_S 1967
n.a. LBF20107PG01 See above. Bergstrom_S et al. 1968
n.a. LBF20107PG01 See above. Bergstrom_S et al. 1960
n.a. LBF20107PG01 See above. Corey_EJ et al. 1969
n.a. LBF20107PG01 See above. Hamberg_M et al. 1966
n.a. LBF20107PG01 See above. Hayashi_M et al. 1975
n.a. LBF20107PG01 See above. Horton_EW 1965
n.a. LBF20107PG01 See above. Horton_EW 1969
n.a. LBF20107PG01 See above. Horton_EW et al. 1966
n.a. LBF20107PG01 See above. Karim_SM et al. 1968
n.a. LBF20107PG01 See above. Karim_SM et al. 1967
n.a. LBF20107PG01 See above. Kirtland_SJ 1988
n.a. LBF20107PG01 See above. Lukacs_G et al. 1973
n.a. LBF20107PG01 See above. Ogino_N et al. 1977
n.a. LBF20107PG01 See above. Speroff_L et al. 1970
n.a. LBF20107PG01 See above. Struijk_MCB et al. 1966
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