LBF15306CV02

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Upper classes: LB LBF



Clavirin II
LBF15306CV02.png
Structural Information
Systematic Name trans-2- [2R -Acetoxy-2- (cis-2-octenyl) -5-oxo-3-cyclopentenylidene] acetaldehyde
Common Name
  • Clavirin II
  • 2E- [2R-Acetoxy-2- (2Z-octenyl) -5-oxo-3-cyclopentenylidene] acetaldehyde
Symbol
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
Melting Point
Boiling Point
Density
Optical Rotation [ α ]D -33.7°(C 0.43, CHCl3) IwashimaMet al.
Refractive Index
Solubility
Source Clavirins were isolated from Japanese soft coral, Stolonifer Clavularia viridis Quoy and Gaimard. Iwashima_M et al.
Chemical Synthesis Clavirin I and II were synthesized from 4-alkoxy-2-cyclopentenone. Iwashima_M et al.
Metabolism Clavirins may possibly be biosynthesized from clavulone. Iwashima_M et al.
Biological Activity Clavirins showed growth-inhibitory activity toward Hela S3 at 1 mu g/ml. Iwashima_M et al.
Genetic Information
Note
Spectral Information
Mass Spectra
UV Spectra
IR Spectra
NMR Spectra 1H-NMR(500MHz,CDCl3) δ 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). IwashimaMet al. 13C-NMR(125MHz,CDCl3) δ 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. 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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