LBG00-ck::YS2CA0001:18000SC01: Difference between revisions

Latest revision as of 06:00, 15 April 2010

2-O-Acetyl-3-O-octadecyl-sn-glycerol

Structural Information
	2-O-Acetyl-3-O-octadecyl-sn-glycerol
	2-O-Acetyl-3-O-octadecyl-sn-glycerol

Formula	C23H46O4
Exact Mass	386.33960995999996
Average Mass	386.60894
SMILES	`CCCCCCCCCCCCCCCCC(C)OCC(CO)OC(C)=O`
Physicochemical Information
	47° <<0015>>











Spectral Information
Mass Spectra
UV Spectra
IR Spectra	3472 (OH); 1743 (Ester-Carbonyl); 1376 (Methyl); 1244,1053 (Ester); 1053 (Alcohol-II) <<0015>>
NMR Spectra	¹H-NMR (80 MHz): 0.9 (s, 3H, (CH2)l6CH3); 1.30(br. S, ca. 32H, (CH2)l6CH3); 2.09 (s, 3H, COCH3); 2.16 (s, lH, OH); 3.42 (t, J=6, 2H, OCH2(CH2)l6CH3; 3.59(d, J=5, 2H, 2H-C (l or 3)); 3.77 (d, J=5, 2H, 2H-C (3 or l)); 4.97 (m, lH, H-C(2)). <<0015>>,
Other Spectra
Chromatograms

@@ Line 1: / Line 1: @@
+{{Lipid/Header}}
 {{Metabolite
 |LipidBank=PPA0015
@@ Line 4: / Line 6: @@
 |Common Name=&&2-O-Acetyl-3-O-octadecyl-sn-glycerol&&
 |Melting Point=47° <<0015>>
-|Reflactive=[<FONT FACE="Symbol">a</FONT>]<SUB><FONT SIZE=-1>D</FONT></SUB>= +9.44° (c=5, benzene) <<0015>>
+|Reflactive=[ alpha ]_D = +9.44° (c=5, benzene) <<0015>>
 |IR Spectra=3472 (OH); 1743 (Ester-Carbonyl); 1376 (Methyl); 1244,1053 (Ester); 1053 (Alcohol-II) <<0015>>
-|NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR (80 MHz): 0.9 (s, 3H, (CH2)l6CH3); 1.30(br. S, ca. 32H, (CH2)l6CH3); 2.09 (s, 3H, COCH3); 2.16 (s, lH, OH); 3.42 (t, J=6, 2H, OCH2(CH2)l6CH3; 3.59(d, J=5, 2H, 2H-C (l or 3)); 3.77 (d, J=5, 2H, 2H-C (3 or l)); 4.97 (m, lH, H-C(2)). <<0015>>,
+|NMR Spectra=^1 H-NMR (80 MHz): 0.9 (s, 3H, (CH2)l6CH3); 1.30(br. S, ca. 32H, (CH2)l6CH3); 2.09 (s, 3H, COCH3); 2.16 (s, lH, OH); 3.42 (t, J=6, 2H, OCH2(CH2)l6CH3; 3.59(d, J=5, 2H, 2H-C (l or 3)); 3.77 (d, J=5, 2H, 2H-C (3 or l)); 4.97 (m, lH, H-C(2)). <<0015>>,
 }}
+{{Lipid/Footer}}