LBF15306CV02

Upper classes

IDs and Links
LipidBank	XPR8045
LipidMaps	LMFA03120026
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
CDX file
MOL file	LBF15306CV02.mol

clavirin II <<8043>>
Structural Information
Systematic Name	(E) -2- [ (R) -2-acetoxy-2- [ (Z) -2-octenyl ] -5-oxo-3-cyclopentenylidene ] acetaldehyde
Common Name	clavirin II <<8043>>
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
Reflactive Index	[a]D -33.7°(C 0.43, CHCl3)<<8043>>
Solubility
Spectral Information
Mass Spectra
UV Spectra
IR Spectra
NMR Spectra	1H-NMR(500MHz,CDCl3)dppm0.88(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).<<8043>> 13C-NMR(125MHz,CDCl3)dppm14.0,21.3,22.5,27.5,28.9,31.4,37.3,84.4,120.1,125.6,134.8,136.5,149.4,159.3,169.2,190.6,192.5.<<8043>>
Chromatograms