Structure Database (LMSD)

Common Name
17,21-Dimethylnonatriacontane
Systematic Name
17,21-Dimethylnonatriacontane
Synonyms
LM ID
LMFA11000303
Formula
C41H84
Exact Mass
Calculate m/z
576.657301
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
Muscidifurax (#7428)
Insecta (#50557)
Gas chromatography/mass spectrometry analysis of the cuticular hydrocarbons from parasitic wasps of the genus Muscidifurax.,
J Am Soc Mass Spectrom, 1998
Pubmed ID: 27518868

String Representations

InChiKey (Click to copy)
YFTTUSZBCPWWLF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C41H84/c1-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-37-41(4)39-35-38-40(3)36-33-31-29-27-25-23-20-18-16-14-12-10-8-6-2/h40-41H,5-39H2,1-4H3
SMILES (Click to copy)
CCCCCCCCCCCCCCCCC(C)CCCC(C)CCCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
6430407

Calculated Physicochemical Properties

Heavy Atoms 41
Rings 0
Aromatic Rings 0
Rotatable Bonds 36
Van der Waals Molecular Volume 717.86
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 15.95
Molar Refractivity 191.27

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Created at
-
Updated at
15th Jul 2025