LBF15306CV01: Difference between revisions

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|LipidMaps=LMFA03120025
|LipidMaps=LMFA03120025
|SysName= (Z) -2- [ (R) -2-acetoxy-2- [ (Z) -2-octenyl ] -5-oxo-3-cyclopentenylidene ] acetaldehyde
|SysName= (Z) -2- [ (R) -2-acetoxy-2- [ (Z) -2-octenyl ] -5-oxo-3-cyclopentenylidene ] acetaldehyde
|Common Name=&&clavirin I <<8043>>&&
|Common Name=&&clavirin I [[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> -17.1°(C 0.48, CHCl<SUB><FONT SIZE=-1>3</FONT></SUB>)<<8043>>
|Reflactive=[<FONT FACE="Symbol">a</FONT>]<SUB><FONT SIZE=-1>D</FONT></SUB> -17.1°(C 0.48, 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}}]]
|Mass Spectra=HREIMS m/z 230.1298 for C<SUB><FONT SIZE=-1>1</FONT></SUB><SUB><FONT SIZE=-1>5</FONT></SUB>H<SUB><FONT SIZE=-1>1</FONT></SUB><SUB><FONT SIZE=-1>8</FONT></SUB>O<SUB><FONT SIZE=-1>2</FONT></SUB> (M<SUP><FONT SIZE=-1>+</FONT></SUP>-CH<SUB><FONT SIZE=-1>3</FONT></SUB>CO<SUB><FONT SIZE=-1>2</FONT></SUB>H), calcd 230.1307.<<8043>>
|Mass Spectra=HREIMS m/z 230.1298 for C<SUB><FONT SIZE=-1>1</FONT></SUB><SUB><FONT SIZE=-1>5</FONT></SUB>H<SUB><FONT SIZE=-1>1</FONT></SUB><SUB><FONT SIZE=-1>8</FONT></SUB>O<SUB><FONT SIZE=-1>2</FONT></SUB> (M<SUP><FONT SIZE=-1>+</FONT></SUP>-CH<SUB><FONT SIZE=-1>3</FONT></SUB>CO<SUB><FONT SIZE=-1>2</FONT></SUB>H), calcd 230.1307.[[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}}]]
|IR Spectra=<FONT FACE="Symbol">n</FONT><SUP><FONT SIZE=-1>f</FONT></SUP><SUP><FONT SIZE=-1>i</FONT></SUP><SUP><FONT SIZE=-1>l</FONT></SUP><SUP><FONT SIZE=-1>m</FONT></SUP><SUB><FONT SIZE=-1>m</FONT></SUB><SUB><FONT SIZE=-1>a</FONT></SUB><SUB><FONT SIZE=-1>x</FONT></SUB>1735,1714,1682, and 1227cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP><<8043>>
|IR Spectra=<FONT FACE="Symbol">n</FONT><SUP><FONT SIZE=-1>f</FONT></SUP><SUP><FONT SIZE=-1>i</FONT></SUP><SUP><FONT SIZE=-1>l</FONT></SUP><SUP><FONT SIZE=-1>m</FONT></SUP><SUB><FONT SIZE=-1>m</FONT></SUB><SUB><FONT SIZE=-1>a</FONT></SUB><SUB><FONT SIZE=-1>x</FONT></SUB>1735,1714,1682, and 1227cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>[[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),1.20-1.36(6H,m),1.96(2H,brq,J=7.1Hz),2.05(3H,s),2.68(1H,dd,J=7.7,14.6Hz),2.77(1H,dd,J=7.4,14.6Hz),5.23(1H,dt,J=7.1,10.9Hz),5.59(1H,ddd,J=7.4,7.7,10.9Hz),6.21(1H,d,J=7.6Hz),6.49(1H,d,J=6.2Hz),7.56(1H,d,J=6.2Hz),10.79(1H,d,J=7.6Hz).<<8043>> <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>ppm14.0,21.3,22.5,27.4,29.0,31.4,36.0,83.5,120.1,129.9,136.0,136.1,150.2,169.5,11.7,192.9.<<8043>>
|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),1.20-1.36(6H,m),1.96(2H,brq,J=7.1Hz),2.05(3H,s),2.68(1H,dd,J=7.7,14.6Hz),2.77(1H,dd,J=7.4,14.6Hz),5.23(1H,dt,J=7.1,10.9Hz),5.59(1H,ddd,J=7.4,7.7,10.9Hz),6.21(1H,d,J=7.6Hz),6.49(1H,d,J=6.2Hz),7.56(1H,d,J=6.2Hz),10.79(1H,d,J=7.6Hz).[[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>ppm14.0,21.3,22.5,27.4,29.0,31.4,36.0,83.5,120.1,129.9,136.0,136.1,150.2,169.5,11.7,192.9.[[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 00:00, 12 December 2008


Upper classes: LB LBF



IDs and Links
LipidBank XPR8044
LipidMaps LMFA03120025
CAS
KEGG {{{KEGG}}}
KNApSAcK {{{KNApSAcK}}}
mol LBF15306CV01
clavirin I IwashimaMet al.
LBF15306CV01.png
Structural Information
(Z) -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 HREIMS m/z 230.1298 for C15H18O2 (M+-CH3CO2H), calcd 230.1307. IwashimaMet al.
UV Spectra
IR Spectra nfilmmax1735,1714,1682, and 1227cm-1 IwashimaMet al.
NMR Spectra 1H-NMR(500MHz,CDCl3)dppm0.88(3H,t,J=7.1Hz),1.20-1.36(6H,m),1.96(2H,brq,J=7.1Hz),2.05(3H,s),2.68(1H,dd,J=7.7,14.6Hz),2.77(1H,dd,J=7.4,14.6Hz),5.23(1H,dt,J=7.1,10.9Hz),5.59(1H,ddd,J=7.4,7.7,10.9Hz),6.21(1H,d,J=7.6Hz),6.49(1H,d,J=6.2Hz),7.56(1H,d,J=6.2Hz),10.79(1H,d,J=7.6Hz). IwashimaMet al. 13C-NMR(125MHz,CDCl3)dppm14.0,21.3,22.5,27.4,29.0,31.4,36.0,83.5,120.1,129.9,136.0,136.1,150.2,169.5,11.7,192.9. IwashimaMet al.
Other Spectra
Chromatograms
Reported Metabolites, References
Biospecies ID Compound Name Reference Comment
n.a. LBF15306CV01 See above. Iwashima_M et al. 1999
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