Structure Database (LMSD)
Common Name
7Z,13Z,16Z,19Z-Docosatetraenyl isobutyrate
Systematic Name
7Z,13Z,16Z,19Z-Docosatetraenyl isobutyrate
Synonyms
- WE(22:4(7Z,13Z,16Z,19Z)(1OH)/3:0(2Me))
3D model of 7Z,13Z,16Z,19Z-Docosatetraenyl isobutyrate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
IHFUWVNHVLVCKZ-LYBCEPMBSA-N
InChi (Click to copy)
InChI=1S/C26H44O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-26(27)25(2)3/h5-6,8-9,11-12,17-18,25H,4,7,10,13-16,19-24H2,1-3H3/b6-5-,9-8-,12-11-,18-17-
SMILES (Click to copy)
O=C(C(C)C)OCCCCCC/C=C\CCCC/C=C\C/C=C\C/C=C\CC
References
Comments
Pherobase Semiochemicals
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Euproctis chrysorrhoea
(#987934)
Insecta
(#50557)
Identification of sex pheromone of browntail moth,Euproctis chrysorrhoea (L.) (Lepidoptera: Lymantriidae).,
J Chem Ecol, 1991
J Chem Ecol, 1991
Pubmed ID:
24259074
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
28
Rings
0
Aromatic Rings
0
Rotatable Bonds
19
Van der Waals Molecular Volume
462.74
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
8.40
Molar Refractivity
123.93
Admin
Created at
-
Updated at
5th Apr 2022