Structure Database (LMSD)

Common Name
(E,E)-farnesyl butyrate
Systematic Name
(E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl butyrate
Synonyms
  • WE(12:3(2E,6E,10E)(3Me,7Me,11Me)/4:0)
LM ID
LMFA07010543
Formula
C19H32O2
Exact Mass
Calculate m/z
292.240231
Sum Composition
SFE 19:3
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Fatty Acyls [FA]
Fatty esters [FA07]
Short fatty esters [FA0710]
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Acyclic farnesane sesquiterpenoids [PR010301]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Agriotes brevis (#869167)
Insecta (#50557)
Identification of female-produced sex pheromones and their geographical differences in pheromone gland extract composition from click beetles (Col., Elateridae),
J Appl Entomol, 1996

String Representations

InChiKey (Click to copy)
GPNSLSVRBMEOCK-NXGXIAAHSA-N
InChi (Click to copy)
InChI=1S/C19H32O2/c1-6-9-19(20)21-15-14-18(5)13-8-12-17(4)11-7-10-16(2)3/h10,12,14H,6-9,11,13,15H2,1-5H3/b17-12+,18-14+
SMILES (Click to copy)
O=C(CCC)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C

Other Databases

PubChem CID
5352771

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 344.28
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 6.03
Molar Refractivity 91.77

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Created at
-
Updated at
13th Dec 2024