Structure Database (LMSD)

Common Name
13-Methylhentriacontane
Systematic Name
13-Methylhentriacontane
Synonyms
LM ID
LMFA11000260
Formula
C32H66
Exact Mass
Calculate m/z
450.516451
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

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

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Acheta domesticus (#6997)
Insecta (#50557)
Cuticular lipids of insects-VII. Cuticular hydrocarbons of the crickets Acheta a domesticus, gryllus pennsylvanicus and Nemobius fasciatus,
Comp Biochem Physiol B, 1976
Pubmed ID: 1277805

String Representations

InChiKey (Click to copy)
YABDGBBPSIKJMX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C32H66/c1-4-6-8-10-12-14-16-17-18-19-20-21-23-25-27-29-31-32(3)30-28-26-24-22-15-13-11-9-7-5-2/h32H,4-31H2,1-3H3
SMILES (Click to copy)
CCCCCCCCCCCCC(C)CCCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
530409

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 0
Aromatic Rings 0
Rotatable Bonds 28
Van der Waals Molecular Volume 562.16
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 12.59
Molar Refractivity 149.79

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Created at
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Updated at
8th Jan 2026