Structure Database (LMSD)

Common Name
WE 18:1(6)/5:0
Systematic Name
6-Octadecenyl valerate
Synonyms
  • WE(18:1(6)/5:0)
LM ID
LMFA07010559
Formula
C23H46O2
Exact Mass
Calculate m/z
354.349781
Sum Composition
WE 23:0
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Wax monoesters [FA0701]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Euproctis similis (#987935)
Insecta (#50557)
Study on identification and synthesis of insect pheromone;XVII. The sex pheromone of euproctis similis xanthocampa.

String Representations

InChiKey (Click to copy)
VPKUWBRGYWLQAA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H46O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-23(24)21-6-4-2/h3-22H2,1-2H3
SMILES (Click to copy)
O=C(CCCC)OCCCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
568510

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 21
Van der Waals Molecular Volume 421.40
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 8.27
Molar Refractivity 110.52

Admin

Created at
-
Updated at
21st Jan 2025