LBF15306CV01

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Upper classes: LB LBF



Clavirin I
LBF15306CV01.png
Structural Information
Systematic Name cis-2- [2R -Acetoxy-2- (cis-2-octenyl) -5-oxo-3-cyclopentenylidene] acetaldehyde
Common Name
  • Clavirin I
  • 2Z- [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 -17.1°(C 0.48, 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 HREIMS m/z 230.1298 for C15}H_{18O2 (M+-CH3CO2H), calcd 230.1307. IwashimaMet al.
UV Spectra
IR Spectra ν film
max
  1735,1714,1682, and 1227cm-1 IwashimaMet al.
NMR Spectra 1H-NMR(500MHz,CDCl3) δ 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). IwashimaMet al. 13C-NMR(125MHz,CDCl3) δ 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. 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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