Structure Database (LMSD)

Common Name
13,17-Dimethylpentatetracontane
Systematic Name
13,17-Dimethylpentatetracontane
Synonyms
LM ID
LMFA11000245
Formula
C47H96
Exact Mass
Calculate m/z
660.751202
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
Diapheromera femorata (#202342)
Insecta (#50557)
The cuticular lipids of the walkingstick, Diapheromera femorata (Say),
Insect Biochem, 1981

String Representations

InChiKey (Click to copy)
RSTYGRSAOAXGLZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C47H96/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-43-47(4)45-41-44-46(3)42-39-37-35-33-16-14-12-10-8-6-2/h46-47H,5-45H2,1-4H3
SMILES (Click to copy)
CCCCCCCCCCCCC(C)CCCC(C)CCCCCCCCCCCCCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
56936151

Calculated Physicochemical Properties

Heavy Atoms 47
Rings 0
Aromatic Rings 0
Rotatable Bonds 42
Van der Waals Molecular Volume 821.66
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 18.29
Molar Refractivity 218.97

Admin

Created at
-
Updated at
28th Apr 2022