Structure Database (LMSD)

Common Name
S-Cucujolide II
Systematic Name
3Z-Dodecen-11S-olide
Synonyms
  • Ferrulactone II
LM ID
LMFA07040034
Status
Active
Exact Mass
Calculate m/z
196.14633
Formula
C12H20O2
Abbrev
FA 12:2
Show lipids differing only in stereochemistry/bond geometry
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Lactones [FA0704]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Carbocyclic fatty acids [FA0114]

String Representations

InChiKey (Click to copy)
IIBFPGGSICFOHJ-JYKYSHPRSA-N
InChi (Click to copy)
InChI=1S/C12H20O2/c1-11-9-7-5-3-2-4-6-8-10-12(13)14-11/h6,8,11H,2-5,7,9-10H2,1H3/b8-6-/t11-/m0/s1
SMILES (Click to copy)
C1(O[C@@H](C)CCCCCCC=CC1)=O

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Cryptolestes ferrugineus (#58000)
Insecta (#50557)
Isolation and identification of two macrolide pheromones from the frass ofCryptolestes ferrugineus (Coleoptera: Cucujidae).,
J Chem Ecol, 1983
Pubmed ID: 24407454

Other Databases

PubChem CID
6440782

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 1
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 216.10
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.50
Molar Refractivity 57.52

Admin

Created at
-
Updated at
4th Apr 2022