Structure Database (LMSD)

Common Name
13-Methyloctacosane
Systematic Name
13-Methyloctacosane
Synonyms
LM ID
LMFA11000265
Formula
C29H60
Exact Mass
Calculate m/z
408.469501
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
Roptrocerus xylophagorum (#2869225)
Insecta (#50557)
Evidence for a sex pheromone in bark beetle parasitoid Roptrocerus xylophagorum.,
J Chem Ecol, 2002
Pubmed ID: 12049226

String Representations

InChiKey (Click to copy)
LWQCUHJKWNBDGI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C29H60/c1-4-6-8-10-12-14-16-17-18-20-22-24-26-28-29(3)27-25-23-21-19-15-13-11-9-7-5-2/h29H,4-28H2,1-3H3
SMILES (Click to copy)
CCCCCCCCCCCCC(C)CCCCCCCCCCCCCCC

Other Databases

PubChem CID
6428627

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 0
Aromatic Rings 0
Rotatable Bonds 25
Van der Waals Molecular Volume 510.26
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 11.41
Molar Refractivity 135.94

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Created at
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Updated at
11th Dec 2025