Structure Database (LMSD)

Common Name
SFE 13:2(9Z,12)(11Me)/2:0
Systematic Name
11-Methyl-9Z,12-tridecadienyl acetate
Synonyms
  • SFE(13:2(9Z,12)(11Me)/2:0)
LM ID
LMFA07010280
Formula
C16H28O2
Exact Mass
Calculate m/z
252.20893
Sum Composition
SFE 16:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Short fatty esters [FA0710]

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
A New Synergist, 11-Methyl-cis-9, 12-Tridecadienyl Acetate, for the Smaller Tea Tortrix Sex Attractant,
Appl Entolom Zool, 1979

String Representations

InChiKey (Click to copy)
ASUUBOCEHJFFRV-QBFSEMIESA-N
InChi (Click to copy)
InChI=1S/C16H28O2/c1-4-15(2)13-11-9-7-5-6-8-10-12-14-18-16(3)17/h4,11,13,15H,1,5-10,12,14H2,2-3H3/b13-11-
SMILES (Click to copy)
O(C(=O)C)CCCCCCCC/C=C\C(C)C=C

Other Databases

CHEBI ID
187292
PubChem CID
12888605

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 295.02
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.94
Molar Refractivity 77.94

Admin

Created at
-
Updated at
7th Jul 2023