Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA07010013
Common NameOctacosyl-palmitate
Systematic Nameoctacosyl hexadecanoate
SynonymsWE(28:0/16:0)
Exact Mass
648.6784 (neutral)    Calculate m/z:
FormulaC44H88O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
PubChem CID10258711
InChIKeyDUUVLSQFLIAPFQ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C44H88O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-31-
33-35-37-39-41-43-46-44(45)42-40-38-36-34-32-30-16-14-12-10-8-6-4-2/h3-43H2,1-2H
3
SMILESCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCC
StatusActive
ReferencesSample preparation methods for beeswax characterization by gas chromatography with flame ionization detection
J.J. Jimenez, J.L. Bernal, M.J. del Nozal, M.T. Martin and J. Bernal
Journal of Chromatography A
Volume 1129, Issue 2, 6 (2006), Pages 262-272
Calculated physicochemical properties (?):
 Heavy Atoms46Rings0Aromatic Rings0Rotatable Bonds42
 van der Waals
Molecular Volume
784.70Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP16.46Molar
Refractivity
207.48