Structure Database (LMSD)

Common Name
SFE 22:0/2:0
Systematic Name
Docosyl acetate
Synonyms
LM ID
LMFA07010405
Formula
C24H48O2
Exact Mass
Calculate m/z
368.365431
Sum Composition
SFE 24:0
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Short fatty esters [FA0710]

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Adoxophyes orana (#480707)
Insecta (#50557)
Sex pheromone ofAdoxophyes orana: Additional components and variability in ratio of (Z)-9- and (Z)-11-tetradecenyl acetate.,
J Chem Ecol, 1986
Pubmed ID: 24306914

String Representations

InChiKey (Click to copy)
AWYRDXDPCQRJHE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C24H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-24(2)25/h3-23H2,1-2H3
SMILES (Click to copy)
O(C(=O)C)CCCCCCCCCCCCCCCCCCCCCC

Other Databases

CHEBI ID
180075
PubChem CID
69969

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 22
Van der Waals Molecular Volume 438.70
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 8.66
Molar Refractivity 115.14

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Created at
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Updated at
28th May 2025