Structure database (LMSD)

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LM IDLMFA07010037
Common NameLauryl stearate
Systematic Namedodecanyl octadecanoate
SynonymsWE(12:0/18:0); dodecyl octadecanoate
Exact Mass
452.4593 (neutral)    Calculate m/z:
FormulaC30H60O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
PubChem CID79186
InChIKeyJRTVEUGOGWTHTR-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C30H60O2/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30(31)32-29-27-
25-23-21-14-12-10-8-6-4-2/h3-29H2,1-2H3
SMILESO=C(CCCCCCCCCCCCCCCCC)OCCCCCCCCCCCC
MS SpectraView MoNA MS spectra     
StatusActive
ReferencesStructural characterization of wax esters by electron ionization mass spectrometry
Klara Urbanova, Vladimir Vrkoslav, Irena Valterova, Martina Hakova, and Josef Cvacka
J. Lipid Res. 53:(1) 204-213 (2012)
Calculated physicochemical properties (?):
 Heavy Atoms32Rings0Aromatic Rings0Rotatable Bonds28
 van der Waals
Molecular Volume
542.50Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP11.00Molar
Refractivity
142.84