Structure Database (LMSD)

Common Name
5,17-Dimethylhentriacontane
Systematic Name
5,17-Dimethylhentriacontane
Synonyms
LM ID
LMFA11000438
Formula
C33H68
Exact Mass
Calculate m/z
464.532101
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
Bracon cephi (#2572178)
Insecta (#50557)
Acetate esters of saturated and unsaturated alcohols (C12-C20) are major components in Dufour glands of Bracon cephi and Bracon lissogaster (Hymenoptera: Braconidae), parasitoids of the wheat stem sawfly, Cephus cinctus (Hymenoptera: Cephidae),
Biochem Syst Ecol, 2005

String Representations

InChiKey (Click to copy)
GLCOFACRHCSXIY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C33H68/c1-5-7-9-10-11-12-13-14-16-19-23-26-30-33(4)31-27-24-21-18-15-17-20-22-25-29-32(3)28-8-6-2/h32-33H,5-31H2,1-4H3
SMILES (Click to copy)
CCCCC(C)CCCCCCCCCCCC(C)CCCCCCCCCCCCCC

Other Databases

PubChem CID
56936182

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 0
Aromatic Rings 0
Rotatable Bonds 28
Van der Waals Molecular Volume 579.46
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 12.83
Molar Refractivity 154.33

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Created at
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Updated at
17th Dec 2025