Structure Database (LMSD)

Common Name
Cucujolide X
Systematic Name
5Z,8Z-Tetradecadien-12R-olide
Synonyms
LM ID
LMFA07040145
Formula
C14H22O2
Exact Mass
Calculate m/z
222.16198
Sum Composition
FA 14:3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Lactones [FA0704]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Oryzaephilus surinamensis (#41112)
Insecta (#50557)
Identification and synthesis of macrolide pheromones of the grain beetle Oryzaephilus surinamensis and the frog Spinomantis aglavei.,
Chemistry, 2014
Pubmed ID: 24523150

String Representations

InChiKey (Click to copy)
YLRPLFAERBPPFP-MVSJEEPGSA-N
InChi (Click to copy)
InChI=1S/C14H22O2/c1-2-13-11-9-7-5-3-4-6-8-10-12-14(15)16-13/h4-7,13H,2-3,8-12H2,1H3/b6-4-,7-5-/t13-/m1/s1
SMILES (Click to copy)
C1(O[C@H](CC)CCC=CCC=CCCC1)=O

Other Databases

PubChem CID
171119971

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 1
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 248.06
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.06
Molar Refractivity 66.67

Admin

Created at
15th Feb 2021
Updated at
15th Feb 2021