Structure Database (LMSD)

Common Name
Behenyl palmitate
Systematic Name
docosanyl hexadecanoate
Synonyms
  • WE(22:0/16:0)
  • docosyl hexadecanoate
LM ID
LMFA07010010
Status
Active
Exact Mass
Calculate m/z
564.58453
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
FVFPPJUUWBXKFA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C38H76O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-40-38(39)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h3-37H2,1-2H3
SMILES (Click to copy)
CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCC

References

Reference
Sample 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

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Apis mellifera (#7460)
Insecta (#50557)
Sample preparation methods for beeswax characterization by gas chromatography with flame ionization detection.,
J Chromatogr A, 2006
Pubmed ID: 16854423

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 0
Aromatic Rings 0
Rotatable Bonds 36
Van der Waals Molecular Volume 680.90
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 14.12
Molar Refractivity 179.77

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Updated at
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