Structure Database (LMSD)
Common Name
(Z,Z,Z)-11,14,17-Eicosatrienyl 4-methylvalerate
Systematic Name
(Z,Z,Z)-11,14,17-Eicosatrienyl 4-methylvalerate
Synonyms
- WE(20:3(11Z,14Z,17Z)/5:0(4Me))
3D model of (Z,Z,Z)-11,14,17-Eicosatrienyl 4-methylvalerate
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)
ACYOLBBKHJUMSO-AGRJPVHOSA-N
InChi (Click to copy)
InChI=1S/C26H46O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-28-26(27)23-22-25(2)3/h5-6,8-9,11-12,25H,4,7,10,13-24H2,1-3H3/b6-5-,9-8-,12-11-
SMILES (Click to copy)
O=C(CCC(C)C)OCCCCCCCCCC/C=C\C/C=C\C/C=C\CC
References
Comments
Pherobase Semiochemicals
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Euproctis pulverea
(#2249548)
Insecta
(#50557)
Identification of novel sex pheromone components from a tussock moth, Euproctis pulverea,
Entomol Exp Appl, 2001
Entomol Exp Appl, 2001
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
28
Rings
0
Aromatic Rings
0
Rotatable Bonds
20
Van der Waals Molecular Volume
465.38
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
8.62
Molar Refractivity
124.02
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Created at
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Updated at
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