Structure Database (LMSD)

Common Name
17,21-Dimethylheptatriacontane
Systematic Name
17,21-Dimethylheptatriacontane
Synonyms
LM ID
LMFA11000302
Formula
C39H80
Exact Mass
Calculate m/z
548.626001
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
Gryllus pennsylvanicus (#51074)
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)
JFFONUMNQVVGPB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C39H80/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-38(3)36-33-37-39(4)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h38-39H,5-37H2,1-4H3
SMILES (Click to copy)
CCCCCCCCCCCCCCCCC(C)CCCC(C)CCCCCCCCCCCCCCCC

Other Databases

PubChem CID
522288

Calculated Physicochemical Properties

Heavy Atoms 39
Rings 0
Aromatic Rings 0
Rotatable Bonds 34
Van der Waals Molecular Volume 683.26
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 15.17
Molar Refractivity 182.04

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Created at
-
Updated at
24th Jun 2025