LBF15306CV01

Upper classes

IDs and Links
LipidBank	XPR8044
LipidMaps	LMFA03120025
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
CDX file
MOL file	LBF15306CV01.mol

clavirin I <<8043>>
Structural Information
Systematic Name	(Z) -2- [ (R) -2-acetoxy-2- [ (Z) -2-octenyl ] -5-oxo-3-cyclopentenylidene ] acetaldehyde
Common Name	clavirin I <<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 -17.1°(C 0.48, CHCl3)<<8043>>
Solubility
Spectral Information
Mass Spectra	HREIMS m/z 230.1298 for C15H18O2 (M+-CH3CO2H), calcd 230.1307.<<8043>>
UV Spectra
IR Spectra	nfilmmax1735,1714,1682, and 1227cm-1<<8043>>
NMR Spectra	1H-NMR(500MHz,CDCl3)dppm0.88(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).<<8043>> 13C-NMR(125MHz,CDCl3)dppm14.0,21.3,22.5,27.4,29.0,31.4,36.0,83.5,120.1,129.9,136.0,136.1,150.2,169.5,11.7,192.9.<<8043>>
Chromatograms