Structure Database (LMSD)

O O
Common Name
12-methyl-tridecanyl 2,6,10,14-tetramethyl-pentadecanoate
Systematic Name
12-methyl-tridecanyl 2,6,10,14-tetramethyl-pentadecanoate
Synonyms
  • WE(13:0(12Me)/15:0(2Me,6Me,10Me,14Me))
  • 12-methyl-tridecyl 2,6,10,14-tetramethyl-pentadecanoate
LM ID
LMFA07010086
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)
BGLXHVGOGVGFEL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C33H66O2/c1-28(2)20-15-13-11-9-8-10-12-14-16-27-35-33(34)32(7)26-19-25-31(6)24-18-23-30(5)22-17-21-29(3)4/h28-32H,8-27H2,1-7H3
SMILES (Click to copy)
O=C(C(C)CCCC(C)CCCC(C)CCCC(C)C)OCCCCCCCCCCCC(C)C

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
56935919

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 0
Aromatic Rings 0
Rotatable Bonds 26
Van der Waals Molecular Volume 594.40
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 11.45
Molar Refractivity 156.34

Admin

Created at
-
Updated at
-