Structure database (LMSD)

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LM IDLMFA07010049
Common NameStearyl palmitate
Systematic Nameoctadecanyl hexadecanoate
SynonymsWE(18:0/16:0); octadecyl hexadecanoate
Exact Mass
508.5219 (neutral)    Calculate m/z:
FormulaC34H68O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
PubChem CID75778
SWISSLIPIDS IDSLM:000389998
InChIKeyBILPUZXRUDPOOF-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C34H68O2/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-36-34(35)32-
30-28-26-24-22-20-16-14-12-10-8-6-4-2/h3-33H2,1-2H3
SMILESO=C(CCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC
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 Atoms36Rings0Aromatic Rings0Rotatable Bonds32
 van der Waals
Molecular Volume
611.70Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP12.56Molar
Refractivity
161.31