LBF20207PG25: Difference between revisions

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|SysName=7- [ 3 (R) ,5 (S) -Dihydroxy-2 (R) - (3 (S) -hydroxy-1 (E) -octenylcyclopentan-1 (R) -yl ] -5 (Z) -heptenoic acid
|SysName=7- [ 3 (R) ,5 (S) -Dihydroxy-2 (R) - (3 (S) -hydroxy-1 (E) -octenylcyclopentan-1 (R) -yl ] -5 (Z) -heptenoic acid
|Common Name=&&PROSTAGLANDIN F2alpha&&
|Common Name=&&PROSTAGLANDIN F2alpha&&
|Melting Point=25-35°C <<1007>>
|Melting Point=25-35°C [[Reference:Bundy_GL:Schneider_WP:Lincoln_FH:Pike_JE:,J. Am. Chem. Soc.,1972,94,2123|{{RelationTable/GetFirstAuthor|Reference:Bundy_GL:Schneider_WP:Lincoln_FH:Pike_JE:,J. Am. Chem. Soc.,1972,94,2123}}]]
|Reflactive=[<FONT FACE="Symbol">a</FONT>]X<sub>D</sub><sup>25</sup>=23.8 °(C=1,THF) <<1001>>
|Reflactive=[<FONT FACE="Symbol">a</FONT>]X<sub>D</sub><sup>25</sup>=23.8 °(C=1,THF) [[Reference:Corey_EJ:Schaaf_TK:Huber_W:Koelliker_U:Weinshenker_NM:,J. Am. Chem. Soc.,1970,92,397|{{RelationTable/GetFirstAuthor|Reference:Corey_EJ:Schaaf_TK:Huber_W:Koelliker_U:Weinshenker_NM:,J. Am. Chem. Soc.,1970,92,397}}]]
|Solubility= ETHYL ACETATE, ACETONE, DIETHYLETHER <<1005>>. STABILITIES: to be stable under neutral and basic conditions <<1004>>
|Solubility= ETHYL ACETATE, ACETONE, 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}}]]. STABILITIES: to be stable under neutral and basic conditions [[Reference:Karim_SM:Devlin_J:Hillier_K:,Eur. J. Pharmacol.,1968,4,416|{{RelationTable/GetFirstAuthor|Reference:Karim_SM:Devlin_J:Hillier_K:,Eur. J. Pharmacol.,1968,4,416}}]]
|Mass Spectra=354(M<SUP><FONT SIZE=-1>+</FONT></SUP>), 336, 318, 292, 274, 264(100), 247, 229, 191, 177, 165, 137, 99, 81, 67 <<1009>>
|Mass Spectra=354(M<SUP><FONT SIZE=-1>+</FONT></SUP>), 336, 318, 292, 274, 264(100), 247, 229, 191, 177, 165, 137, 99, 81, 67 [[Reference:Horvath_G:,Biomed. Mass Spectrom.,1976,3,127|{{RelationTable/GetFirstAuthor|Reference:Horvath_G:,Biomed. Mass Spectrom.,1976,3,127}}]]
|IR Spectra=NEAT : 3320, 2640, 1710, 1295, 1260, 1245, 1120, 1080, 1055, 1025, 975cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP> <<1005>>
|IR Spectra=NEAT : 3320, 2640, 1710, 1295, 1260, 1245, 1120, 1080, 1055, 1025, 975cm<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(d<SUB><FONT SIZE=-1>6</FONT></SUB>-ACETONE) : <FONT FACE="Symbol">d</FONT> 5.48(m, 4H), 4.05(m, 3H), 0.9(t, 3H, 20-CH3) <<1005>>. <SUP><FONT SIZE=-1>1</FONT></SUP><SUP><FONT SIZE=-1>3</FONT></SUP>C-NMR : 176.6(C1), 135.0(C14), 132.8(C5), 129.1(C13 or C6), 128.9(C6 or C13), 77.2(C11), 72.9(C15), 71.8(C9), 55.0(C12), 49.9(C8), 42,6(C10), 36.8(C16), 33.2(C2), 31,5(C18), 26.3(C4), 25.1(C7), 25.1(C17), 24.5 <<1008>>
|NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR(d<SUB><FONT SIZE=-1>6</FONT></SUB>-ACETONE) : <FONT FACE="Symbol">d</FONT> 5.48(m, 4H), 4.05(m, 3H), 0.9(t, 3H, 20-CH3) [[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}}]]. <SUP><FONT SIZE=-1>1</FONT></SUP><SUP><FONT SIZE=-1>3</FONT></SUP>C-NMR : 176.6(C1), 135.0(C14), 132.8(C5), 129.1(C13 or C6), 128.9(C6 or C13), 77.2(C11), 72.9(C15), 71.8(C9), 55.0(C12), 49.9(C8), 42,6(C10), 36.8(C16), 33.2(C2), 31,5(C18), 26.3(C4), 25.1(C7), 25.1(C17), 24.5 [[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 XPR1501
LipidMaps LMFA03010002
CAS
KEGG {{{KEGG}}}
KNApSAcK {{{KNApSAcK}}}
mol LBF20207PG25
PROSTAGLANDIN F2α
LBF20207PG25.png
Structural Information
7- [ 3 (R) ,5 (S) -Dihydroxy-2 (R) - (3 (S) -hydroxy-1 (E) -octenylcyclopentan-1 (R) -yl ] -5 (Z) -heptenoic acid
  • PROSTAGLANDIN F2α
Formula C20H34O5
Exact Mass 354.240624198
Average Mass 354.48096000000004
SMILES C(CC[C@@H](O)C=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@@H](C[C@@H]1O)O)CC
Physicochemical Information
25-35°C Bundy_GL et al.
ETHYL ACETATE, ACETONE, DIETHYLETHER Pike_JEet al.. STABILITIES: to be stable under neutral and basic conditions Karim_SM et al.
Spectral Information
Mass Spectra 354(M+), 336, 318, 292, 274, 264(100), 247, 229, 191, 177, 165, 137, 99, 81, 67 HorvathG
UV Spectra
IR Spectra NEAT : 3320, 2640, 1710, 1295, 1260, 1245, 1120, 1080, 1055, 1025, 975cm-1 Pike_JEet al.
NMR Spectra 1H-NMR(d6-ACETONE) : d 5.48(m, 4H), 4.05(m, 3H), 0.9(t, 3H, 20-CH3) Pike_JEet al.. 13C-NMR : 176.6(C1), 135.0(C14), 132.8(C5), 129.1(C13 or C6), 128.9(C6 or C13), 77.2(C11), 72.9(C15), 71.8(C9), 55.0(C12), 49.9(C8), 42,6(C10), 36.8(C16), 33.2(C2), 31,5(C18), 26.3(C4), 25.1(C7), 25.1(C17), 24.5 LukacsGet al.
Other Spectra
Chromatograms
Reported Metabolites, References
Biospecies ID Compound Name Reference Comment
n.a. LBF20207PG25 See above. Bergstrom_S 1967
n.a. LBF20207PG25 See above. Bergstrom_S et al. 1968
n.a. LBF20207PG25 See above. Bundy_GL et al. 1972
n.a. LBF20207PG25 See above. Corey_EJ et al. 1970
n.a. LBF20207PG25 See above. Horvath_G 1976
n.a. LBF20207PG25 See above. Karim_SM et al. 1968
n.a. LBF20207PG25 See above. Lukacs_G et al. 1973
n.a. LBF20207PG25 See above. Negishi_M et al. 1995
n.a. LBF20207PG25 See above. Pike_JE et al. 1969
n.a. LBF20207PG25 See above. Urade_Y et al. 1995
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