Structure Database (LMSD)

Common Name
Pentatriacontane
Systematic Name
Pentatriacontane
Synonyms
LM ID
LMFA11000584
Formula
C35H72
Exact Mass
Calculate m/z
492.563401
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
Microdon devius (#1255188)
Insecta (#50557)
Chemical Deception and Structural Adaptation in Microdon (Diptera, Syrphidae, Microdontinae), a Genus of Hoverflies Parasitic on Social Insects.,
J Chem Ecol, 2019
Pubmed ID: 31792663

String Representations

InChiKey (Click to copy)
VHQQPFLOGSTQPC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C35H72/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3
SMILES (Click to copy)
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
12413

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 0
Aromatic Rings 0
Rotatable Bonds 32
Van der Waals Molecular Volume 614.06
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 13.90
Molar Refractivity 163.71

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Created at
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Updated at
6th Jan 2026