Structure Database (LMSD)

Common Name
13,17,21-Trimethylpentatriacontane
Systematic Name
13,17,21-Trimethylpentatriacontane
Synonyms
LM ID
LMFA11000235
Formula
C38H78
Exact Mass
Calculate m/z
534.610351
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Hydrocarbons [FA11]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Iridomyrmex sp. (#3049784)
Insecta (#50557)
Hydrocarbon constituents of three species of dolichoderine ants,
Insect Biochem, 1983

String Representations

InChiKey (Click to copy)
WWWYYEDTJKBCOF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C38H78/c1-6-8-10-12-14-16-18-19-21-23-25-27-31-37(4)33-29-35-38(5)34-28-32-36(3)30-26-24-22-20-17-15-13-11-9-7-2/h36-38H,6-35H2,1-5H3
SMILES (Click to copy)
CCCCCCCCCCCCC(C)CCCC(C)CCCC(C)CCCCCCCCCCCCCC

Other Databases

PubChem CID
545609

Calculated Physicochemical Properties

Heavy Atoms 38
Rings 0
Aromatic Rings 0
Rotatable Bonds 32
Van der Waals Molecular Volume 665.96
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 14.64
Molar Refractivity 177.35

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Created at
-
Updated at
21st Nov 2025