LBF20406CV15

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Upper classes: LB LBF



Chlorovulone IV
LBF20406CV15.png
Structural Information
Systematic Name Methyl- (cis-5,cis-7) -7- [ 4R-chloro-2-hydroxy-2- (cis-2-octenyl) -5-oxo-3-cyclopentenylidene ] -5-heptenoic acid
Common Name
  • Chlorovulone IV
  • Methyl- (5Z,7Z) -7- [ 4R-chloro-2-hydroxy-2- [(2Z-octenyl) -5-oxo-3-cyclopentenylidene ] -5-heptenoic acid
Symbol
Formula C21H29ClO4
Exact Mass 380.175437126
Average Mass 380.90525999999994
SMILES C(C(=O)1)(Cl)=C[C@](CC=CCCCCC)(C(=CC=CCCCC(OC)=O)1)O
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation 12-O-acetylchlorovulone IV[ α ]D -12°(C 0.025, CHCl3) IguchiKet al.
Refractive Index
Solubility Chlorovulones are soluble in MeOH, EtOH, CHCl3, or hexane.
Source Chlorovulones were isolated from Japanese soft coral, Stolonifer Clavularia viridis Quoy and Gaimard. Iguchi_K et al. Nagaoka_H et al.
Chemical Synthesis
Metabolism
Biological Activity
Genetic Information
Note
Spectral Information
Mass Spectra
UV Spectra
IR Spectra
NMR Spectra 12-O-acetylchlorovulone IV1H-NMR(400MHz,CDCl3) δ ppm0.88(3H,t,J=7.2Hz),1.79(2H,quint.,J=7.4Hz),1.81(2H,quint.,J=7.5Hz),1.97(2H,brq,J=7.4Hz),2.04(3H,s),2.35(2H,t,J=7.4Hz),2.70(1H,brdd,J=7.1,14.3Hz),2.94(1H,brdd,J=7.4,14.3Hz),3.67(3H,s),5.21(1H,brq,J=10.8Hz),5.54(1H,brtd,J=7.4,10.8Hz),6.02(1H,brtd,J=8.8,10.8Hz),6.98(1H,d,J=12.0Hz),7.44(1H,s),7.55(1H,brt,J=12.0Hz). IguchiKet al.
Other Spectra
Chromatograms
Reported Metabolites, References
Biospecies ID Compound Name Reference Comment
n.a. LBF20406CV15 See above. Iguchi_K et al. 1985
n.a. LBF20406CV15 See above. Nagaoka_H et al. 1986


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