Structure Database (LMSD)

Common Name
13-Methylheptacosane
Systematic Name
13-Methylheptacosane
Synonyms
LM ID
LMFA11000261
Formula
C28H58
Exact Mass
Calculate m/z
394.45385
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
Colias eurytheme (#42296)
Insecta (#50557)
Aphrodisiac pheromones of the sulfur butterflies Colias eurytheme and C. Philodice (Lepidoptera, Pieridae),
J Chem Ecol, 1980

String Representations

InChiKey (Click to copy)
CLFMEEYUFHPNBC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C28H58/c1-4-6-8-10-12-14-16-17-19-21-23-25-27-28(3)26-24-22-20-18-15-13-11-9-7-5-2/h28H,4-27H2,1-3H3
SMILES (Click to copy)
CCCCCCCCCCCCC(C)CCCCCCCCCCCCCC

Other Databases

PubChem CID
519164

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 0
Aromatic Rings 0
Rotatable Bonds 24
Van der Waals Molecular Volume 492.96
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 11.02
Molar Refractivity 131.32

Admin

Created at
-
Updated at
28th Dec 2023