LBF15306CV02: Difference between revisions

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|LipidMaps=LMFA03120026
|LipidMaps=LMFA03120026
|SysName= (E) -2- [ (R) -2-acetoxy-2- [ (Z) -2-octenyl ] -5-oxo-3-cyclopentenylidene ] acetaldehyde
|SysName= (E) -2- [ (R) -2-acetoxy-2- [ (Z) -2-octenyl ] -5-oxo-3-cyclopentenylidene ] acetaldehyde
|Common Name=&&clavirin II&&
|Common Name=&&clavirin II&& (E) -2- [ (R) -2-acetoxy-2- [ (Z) -2-octenyl ] -5-oxo-3-cyclopentenylidene ] acetaldehyde&&
|Reflactive=[<FONT FACE="Symbol">a</FONT>]<SUB><FONT SIZE=-1>D</FONT></SUB> -33.7°(C 0.43, CHCl<SUB><FONT SIZE=-1>3</FONT></SUB>)[[Reference:Iwashima_M:Okamoto_K:Iguchi_K:,Tetrahedron Lett.,1999,40,6455|{{RelationTable/GetFirstAuthor|Reference:Iwashima_M:Okamoto_K:Iguchi_K:,Tetrahedron Lett.,1999,40,6455}}]]
|Reflactive=[<FONT FACE="Symbol">a</FONT>]<SUB><FONT SIZE=-1>D</FONT></SUB> -33.7°(C 0.43, CHCl<SUB><FONT SIZE=-1>3</FONT></SUB>)[[Reference:Iwashima_M:Okamoto_K:Iguchi_K:,Tetrahedron Lett.,1999,40,6455|{{RelationTable/GetFirstAuthor|Reference:Iwashima_M:Okamoto_K:Iguchi_K:,Tetrahedron Lett.,1999,40,6455}}]]
|NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR(500MHz,CDCl<SUB><FONT SIZE=-1>3</FONT></SUB>)<FONT FACE="Symbol">d</FONT>ppm0.88(3H,t,J=7.1Hz),1.20-1.40(6H,m),1.95(2H,brq,J=7.2Hz),2.09(3H,s),2.88(1H,dd,J=7.1,14.5Hz),2.91(1H,dd,J=7.5,14.5Hz),5.23(1H,ddd,J=1.6,7.2,10.9Hz),5.62(1H,ddd,J=7.1,7.5,10.9Hz),6.53(1H,d,J=8.0Hz),6.54(1H,d,J=6.2Hz),7.65(1H,d,J=6.2Hz),10.33(1H,d,J=8.0Hz).[[Reference:Iwashima_M:Okamoto_K:Iguchi_K:,Tetrahedron Lett.,1999,40,6455|{{RelationTable/GetFirstAuthor|Reference:Iwashima_M:Okamoto_K:Iguchi_K:,Tetrahedron Lett.,1999,40,6455}}]] <SUP><FONT SIZE=-1>1</FONT></SUP><SUP><FONT SIZE=-1>3</FONT></SUP>C-NMR(125MHz,CDCl<SUB><FONT SIZE=-1>3</FONT></SUB>)<FONT FACE="Symbol">d</FONT>ppm14.0,21.3,22.5,27.5,28.9,31.4,37.3,84.4,120.1,125.6,134.8,136.5,149.4,159.3,169.2,190.6,192.5.[[Reference:Iwashima_M:Okamoto_K:Iguchi_K:,Tetrahedron Lett.,1999,40,6455|{{RelationTable/GetFirstAuthor|Reference:Iwashima_M:Okamoto_K:Iguchi_K:,Tetrahedron Lett.,1999,40,6455}}]]
|NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR(500MHz,CDCl<SUB><FONT SIZE=-1>3</FONT></SUB>)<FONT FACE="Symbol">d</FONT>ppm0.88(3H,t,J=7.1Hz),1.20-1.40(6H,m),1.95(2H,brq,J=7.2Hz),2.09(3H,s),2.88(1H,dd,J=7.1,14.5Hz),2.91(1H,dd,J=7.5,14.5Hz),5.23(1H,ddd,J=1.6,7.2,10.9Hz),5.62(1H,ddd,J=7.1,7.5,10.9Hz),6.53(1H,d,J=8.0Hz),6.54(1H,d,J=6.2Hz),7.65(1H,d,J=6.2Hz),10.33(1H,d,J=8.0Hz).[[Reference:Iwashima_M:Okamoto_K:Iguchi_K:,Tetrahedron Lett.,1999,40,6455|{{RelationTable/GetFirstAuthor|Reference:Iwashima_M:Okamoto_K:Iguchi_K:,Tetrahedron Lett.,1999,40,6455}}]] <SUP><FONT SIZE=-1>1</FONT></SUP><SUP><FONT SIZE=-1>3</FONT></SUP>C-NMR(125MHz,CDCl<SUB><FONT SIZE=-1>3</FONT></SUB>)<FONT FACE="Symbol">d</FONT>ppm14.0,21.3,22.5,27.5,28.9,31.4,37.3,84.4,120.1,125.6,134.8,136.5,149.4,159.3,169.2,190.6,192.5.[[Reference:Iwashima_M:Okamoto_K:Iguchi_K:,Tetrahedron Lett.,1999,40,6455|{{RelationTable/GetFirstAuthor|Reference:Iwashima_M:Okamoto_K:Iguchi_K:,Tetrahedron Lett.,1999,40,6455}}]]
}}
}}

Revision as of 00:01, 20 December 2008


Upper classes: LB LBF



IDs and Links
LipidBank XPR8045
LipidMaps LMFA03120026
CAS
KEGG {{{KEGG}}}
KNApSAcK {{{KNApSAcK}}}
mol LBF15306CV02
clavirin II
LBF15306CV02.png
Structural Information
(E) -2- [ (R) -2-acetoxy-2- [ (Z) -2-octenyl ] -5-oxo-3-cyclopentenylidene ] acetaldehyde
  • clavirin II
  • (E) -2- [ (R) -2-acetoxy-2- [ (Z) -2-octenyl ] -5-oxo-3-cyclopentenylidene ] acetaldehyde
Formula C17H22O4
Exact Mass 290.151809192
Average Mass 290.35418
SMILES CCCCCC=CC[C@](OC(C)=O)(C=1)C(=CC=O)C(=O)C1
Physicochemical Information
Spectral Information
Mass Spectra
UV Spectra
IR Spectra
NMR Spectra 1H-NMR(500MHz,CDCl3)dppm0.88(3H,t,J=7.1Hz),1.20-1.40(6H,m),1.95(2H,brq,J=7.2Hz),2.09(3H,s),2.88(1H,dd,J=7.1,14.5Hz),2.91(1H,dd,J=7.5,14.5Hz),5.23(1H,ddd,J=1.6,7.2,10.9Hz),5.62(1H,ddd,J=7.1,7.5,10.9Hz),6.53(1H,d,J=8.0Hz),6.54(1H,d,J=6.2Hz),7.65(1H,d,J=6.2Hz),10.33(1H,d,J=8.0Hz). IwashimaMet al. 13C-NMR(125MHz,CDCl3)dppm14.0,21.3,22.5,27.5,28.9,31.4,37.3,84.4,120.1,125.6,134.8,136.5,149.4,159.3,169.2,190.6,192.5. IwashimaMet al.
Other Spectra
Chromatograms
Reported Metabolites, References
Biospecies ID Compound Name Reference Comment
n.a. LBF15306CV02 See above. Iwashima_M et al. 1999
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