Structure Database (LMSD)

Common Name
18-Octadecanolide
Systematic Name
18-Octadecanolide
Synonyms
LM ID
LMFA07040056
Formula
C18H34O2
Exact Mass
Calculate m/z
282.25588
Sum Composition
FA 18:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Lactones [FA0704]
Fatty Acids and Conjugates [FA01]
Carbocyclic fatty acids [FA0114]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Colletes cunicularius (#420711)
Insecta (#50557)
Dufour's gland secretion in the cell linings of bees (Hymenoptera: Apoidea),
J Chem Ecol, 1981

String Representations

InChiKey (Click to copy)
PGRBVLPTXLOMNB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H34O2/c19-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-20-18/h1-17H2
SMILES (Click to copy)
C1(OCCCCCCCCCCCCCCCCC1)=O

Other Databases

CHEBI ID
191925
PubChem CID
12628864

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 1
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 322.54
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 6.07
Molar Refractivity 85.32

Admin

Created at
-
Updated at
1st Apr 2022