LBF20207PG51: Difference between revisions

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|SysName=5 (Z) - [ 7 (R) -Hydroxy-6 (R) - (3 (S) -hydroxyocten-1 (E) -yl) -1 (S) ,5 (R) -2-oxabicyclo [ 3.3.0 ] oct-3-ylidenpentanoic acid
|SysName=5 (Z) - [ 7 (R) -Hydroxy-6 (R) - (3 (S) -hydroxyocten-1 (E) -yl) -1 (S) ,5 (R) -2-oxabicyclo [ 3.3.0 ] oct-3-ylidenpentanoic acid
|Common Name=&&PROSTAGLANDIN I2&&
|Common Name=&&PROSTAGLANDIN I2&&
|Reflactive=[<FONT FACE="Symbol">a</FONT>]<SUB><FONT SIZE=-1>D</FONT></SUB>=78°(C=0.8820, CHCl3) <<1014>>
|Reflactive=[<FONT FACE="Symbol">a</FONT>]<SUB><FONT SIZE=-1>D</FONT></SUB>=78°(C=0.8820, CHCl3) [[Reference:Johnson_RA:Lincoln_FH:Nidy_EG:Schneider_WP:Thompson_JL:Axen_U:,J. Am. Chem. Soc.,1978,100,7690|{{RelationTable/GetFirstAuthor|Reference:Johnson_RA:Lincoln_FH:Nidy_EG:Schneider_WP:Thompson_JL:Axen_U:,J. Am. Chem. Soc.,1978,100,7690}}]]
|Mass Spectra=11,15-BIS(TRIMETHYLSILYL) ETHER METHYL ESTER ; 495(M<SUP><FONT SIZE=-1>+</FONT></SUP>-CH<SUB><FONT SIZE=-1>3</FONT></SUB>), 479, 439, 423, 349, 327, 323, 315, 313, 199, 173 <<1014>>
|Mass Spectra=11,15-BIS(TRIMETHYLSILYL) ETHER METHYL ESTER ; 495(M<SUP><FONT SIZE=-1>+</FONT></SUP>-CH<SUB><FONT SIZE=-1>3</FONT></SUB>), 479, 439, 423, 349, 327, 323, 315, 313, 199, 173 [[Reference:Johnson_RA:Lincoln_FH:Nidy_EG:Schneider_WP:Thompson_JL:Axen_U:,J. Am. Chem. Soc.,1978,100,7690|{{RelationTable/GetFirstAuthor|Reference:Johnson_RA:Lincoln_FH:Nidy_EG:Schneider_WP:Thompson_JL:Axen_U:,J. Am. Chem. Soc.,1978,100,7690}}]]
|IR Spectra=METHYL ESTER ; LIQUID MELT <FONT FACE="Symbol">n</FONT> 3370, 1740, 1695cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP> <<1014>>
|IR Spectra=METHYL ESTER ; LIQUID MELT <FONT FACE="Symbol">n</FONT> 3370, 1740, 1695cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP> [[Reference:Johnson_RA:Lincoln_FH:Nidy_EG:Schneider_WP:Thompson_JL:Axen_U:,J. Am. Chem. Soc.,1978,100,7690|{{RelationTable/GetFirstAuthor|Reference:Johnson_RA:Lincoln_FH:Nidy_EG:Schneider_WP:Thompson_JL:Axen_U:,J. Am. Chem. Soc.,1978,100,7690}}]]
|NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>-H-NMR(D<SUB><FONT SIZE=-1>2</FONT></SUB>O, GLYCINE BUFFER, pH10.4) : <FONT FACE="Symbol">d</FONT> 5.60(m, 2H, 13,14-CH), 4.66(m, 1H, 9-CH), 4.39(t, 1H, 5-CH), 4.15(q, 1H, 15-CH), 3.97(q, 1H, 11-CH), 2.20(t, 2H, 2-CH<SUB><FONT SIZE=-1>2</FONT></SUB>) <<1013>>
|NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>-H-NMR(D<SUB><FONT SIZE=-1>2</FONT></SUB>O, GLYCINE BUFFER, pH10.4) : <FONT FACE="Symbol">d</FONT> 5.60(m, 2H, 13,14-CH), 4.66(m, 1H, 9-CH), 4.39(t, 1H, 5-CH), 4.15(q, 1H, 15-CH), 3.97(q, 1H, 11-CH), 2.20(t, 2H, 2-CH<SUB><FONT SIZE=-1>2</FONT></SUB>) [[Reference:Kotovych_G:Aarts_GHM:Takashima_TT:Bigam_G:,Can. J. Chem.,1980,58,974|{{RelationTable/GetFirstAuthor|Reference:Kotovych_G:Aarts_GHM:Takashima_TT:Bigam_G:,Can. J. Chem.,1980,58,974}}]]
}}
}}

Revision as of 00:00, 12 December 2008


Upper classes: LB LBF



PROSTAGLANDIN I2
LBF20207PG51.png
Structural Information
5 (Z) - [ 7 (R) -Hydroxy-6 (R) - (3 (S) -hydroxyocten-1 (E) -yl) -1 (S) ,5 (R) -2-oxabicyclo [ 3.3.0 ] oct-3-ylidenpentanoic acid
  • PROSTAGLANDIN I2
Formula C20H32O5
Exact Mass 352.224974134
Average Mass 352.46508
SMILES C(CC[C@@H](O)C=C[C@H]([C@H]12)[C@H](O)C[C@H](OC(C2)=CCCCC(O)=O)1)CC
Physicochemical Information
Spectral Information
Mass Spectra 11,15-BIS(TRIMETHYLSILYL) ETHER METHYL ESTER ; 495(M+-CH3), 479, 439, 423, 349, 327, 323, 315, 313, 199, 173 Johnson_RA et al.
UV Spectra
IR Spectra METHYL ESTER ; LIQUID MELT n 3370, 1740, 1695cm-1 Johnson_RA et al.
NMR Spectra 1-H-NMR(D2O, GLYCINE BUFFER, pH10.4) : d 5.60(m, 2H, 13,14-CH), 4.66(m, 1H, 9-CH), 4.39(t, 1H, 5-CH), 4.15(q, 1H, 15-CH), 3.97(q, 1H, 11-CH), 2.20(t, 2H, 2-CH2) KotovychGet al.
Other Spectra
Chromatograms
Reported Metabolites, References
Biospecies ID Compound Name Reference Comment
n.a. LBF20207PG51 See above. Johnson_RA et al. 1978
n.a. LBF20207PG51 See above. Kotovych_G et al. 1980
n.a. LBF20207PG51 See above. Moncada_S et al. 1978
n.a. LBF20207PG51 See above. Needleman_P et al. 1986
n.a. LBF20207PG51 See above. Negishi_M et al. 1995
n.a. LBF20207PG51 See above. Negishi_M et al. 1995
n.a. LBF20207PG51 See above. Pace-Asciak_CR et al. 1983
n.a. LBF20207PG51 See above. Tanabe_T et al. 1995
n.a. LBF20207PG51 See above. Yokoyama_C et al. 1996