LBF20406CV15: Difference between revisions

(New page: {{Lipid/Header}} {{Hierarchy|{{PAGENAME}}}} {{Metabolite |LipidBank=XPR8011 |LipidMaps=LMFA03120011 |SysName=Methyl- (5-cis,7-cis) -7- [ 4R-chloro-2-hydroxy-2- [cis-2-octenyl] -5-oxo-3-c...)
 
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|LipidBank=XPR8011
|LipidBank=XPR8011
|LipidMaps=LMFA03120011
|LipidMaps=LMFA03120011
|SysName=Methyl- (5-cis,7-cis) -7- [ 4R-chloro-2-hydroxy-2- [cis-2-octenyl] -5-oxo-3-cyclopentenylidene ] -5-heptenoic acid
|SysName=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- [(Z)-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&&
|Optical=12-O-acetylchlorovulone IV[ alpha ]_D  -12°(C 0.025, CHCl_3 )[[Reference:Iguchi_K:Kaneta_S:Mori_K:Yamada_Y:Honda_A:Mori_Y:,Tetrahedron Lett.,1985,26,5787|{{RelationTable/GetFirstAuthor|Reference:Iguchi_K:Kaneta_S:Mori_K:Yamada_Y:Honda_A:Mori_Y:,Tetrahedron Lett.,1985,26,5787}}]]
|Optical=12-O-acetylchlorovulone IV[ alpha ]_D  -12°(C 0.025, CHCl_3 )[[Reference:Iguchi_K:Kaneta_S:Mori_K:Yamada_Y:Honda_A:Mori_Y:,Tetrahedron Lett.,1985,26,5787|{{RelationTable/GetFirstAuthor|Reference:Iguchi_K:Kaneta_S:Mori_K:Yamada_Y:Honda_A:Mori_Y:,Tetrahedron Lett.,1985,26,5787}}]]
|Solubility=Chlorovulones are soluble in MeOH, EtOH, CHCl_3 , or hexane.
|Solubility=Chlorovulones are soluble in MeOH, EtOH, CHCl_3 , or hexane.

Latest revision as of 06:03, 21 October 2010

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Upper classes: LB LBF



Chlorovulone IV
LBF20406CV15.png
Structural Information
Methyl- (cis-5,cis-7) -7- [ 4R-chloro-2-hydroxy-2- (cis-2-octenyl) -5-oxo-3-cyclopentenylidene ] -5-heptenoic acid
  • Chlorovulone IV
  • Methyl- (5Z,7Z) -7- [ 4R-chloro-2-hydroxy-2- [(2Z-octenyl) -5-oxo-3-cyclopentenylidene ] -5-heptenoic acid
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
12-O-acetylchlorovulone IV[ α ]D -12°(C 0.025, CHCl3) IguchiKet al.
Chlorovulones are soluble in MeOH, EtOH, CHCl3, or hexane.
Chlorovulones were isolated from Japanese soft coral, Stolonifer Clavularia viridis Quoy and Gaimard. Iguchi_K et al. Nagaoka_H et al.
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