Structure Database (LMSD)

Common Name
SFE 18:2(3Z,13Z)/2:0
Systematic Name
3Z,13Z-Octadecadienyl acetate
Synonyms
  • SFE(18:2(3Z,13Z)/2:0)
LM ID
LMFA07010393
Formula
C20H36O2
Exact Mass
Calculate m/z
308.27153
Sum Composition
SFE 20:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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
Nemapogon granella (#1448907)
Insecta (#50557)
Identification of the sex pheromone of the European grain moth Nemapogon granellus: (3Z,13Z)-3,13-octadecadienyl acetate.,
J Pesticide Sci, 1993

String Representations

InChiKey (Click to copy)
VVJPJXKHBZNADP-DNNFRFAMSA-N
InChi (Click to copy)
InChI=1S/C20H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h6-7,16-17H,3-5,8-15,18-19H2,1-2H3/b7-6-,17-16-
SMILES (Click to copy)
O(C(=O)C)CC/C=C\CCCCCCCC/C=C\CCCC

Other Databases

CHEBI ID
180347
PubChem CID
5363260

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 364.22
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 6.65
Molar Refractivity 96.48

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Created at
-
Updated at
7th Jul 2023