Structure Database (LMSD)

Common Name
19-Methylnonatriacontane
Systematic Name
19-Methylnonatriacontane
Synonyms
LM ID
LMFA11000310
Formula
C40H82
Exact Mass
Calculate m/z
562.64165
Status
Active
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
Dermatobia hominis (#115427)
Insecta (#50557)
Sex pheromone of the American warble fly, Dermatobia hominis: the role of cuticular hydrocarbons.,
J Chem Ecol, 2008
Pubmed ID: 18443879

String Representations

InChiKey (Click to copy)
OSFLEUHONBIQCN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C40H82/c1-4-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-40(3)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-5-2/h40H,4-39H2,1-3H3
SMILES (Click to copy)
CCCCCCCCCCCCCCCCCCC(C)CCCCCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
6430632

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 0
Aromatic Rings 0
Rotatable Bonds 36
Van der Waals Molecular Volume 700.56
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 15.71
Molar Refractivity 186.72

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Created at
-
Updated at
22nd Apr 2022