Structure Database (LMSD)

O O
Common Name
(E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl nonanoate
Systematic Name
(E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl nonanoate
Synonyms
  • WE(12:3(2E,6E,10E)(3Me,7Me,11Me)/9:0)
LM ID
LMFA07010548
Formula
C24H42O2
Exact Mass
Calculate m/z
362.31848
Sum Composition
WE 24:3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Wax monoesters [FA0701]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Branched fatty acids [FA0102]

String Representations

InChiKey (Click to copy)
PTGYDEYLBOXVAU-SZAMPSRSSA-N
InChi (Click to copy)
InChI=1S/C24H42O2/c1-6-7-8-9-10-11-18-24(25)26-20-19-23(5)17-13-16-22(4)15-12-14-21(2)3/h14,16,19H,6-13,15,17-18,20H2,1-5H3/b22-16+,23-19+
SMILES (Click to copy)
O=C(CCCCCCCC)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C

References

Comments
Pherobase Semiochemicals

Other Databases

PubChem CID
56935991

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 430.78
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 7.98
Molar Refractivity 114.86

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Created at
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Updated at
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