Structure Database (LMSD)

O O
Common Name
tetradecanyl 2,6,10,14-tetramethyl-pentadecanoate
Systematic Name
tetradecanyl 2,6,10,14-tetramethyl-pentadecanoate
Synonyms
  • WE(14:0/15:0(2Me,6Me,10Me,14Me))
  • tetradecyl 2,6,10,14-tetramethyl-pentadecanoate
LM ID
LMFA07010087
Formula
C33H66O2
Exact Mass
Calculate m/z
494.50628
Sum Composition
WE 33:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Wax monoesters [FA0701]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]

String Representations

InChiKey (Click to copy)
LIGFRGHIOUYNDC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C33H66O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-28-35-33(34)32(6)27-21-26-31(5)25-20-24-30(4)23-19-22-29(2)3/h29-32H,7-28H2,1-6H3
SMILES (Click to copy)
O=C(C(C)CCCC(C)CCCC(C)CCCC(C)C)OCCCCCCCCCCCCCC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
unidentified (#32644)
Structural characterization of wax esters by electron ionization mass spectrometry.,
J Lipid Res, 2012
Pubmed ID: 22058425

Other Databases

PubChem CID
56935920

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 0
Aromatic Rings 0
Rotatable Bonds 27
Van der Waals Molecular Volume 594.40
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 11.59
Molar Refractivity 156.41

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Created at
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Updated at
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