Structure Database (LMSD)

Common Name
R-cucujolide V
Systematic Name
5Z,8Z-Tetradecadien-13R-olide
Synonyms
LM ID
LMFA07040048
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]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Spinomantis aglavei (#134674)
Amphibia (#8292)
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)
JSZKXZJGTWVDOI-LPFHBXDTSA-N
InChi (Click to copy)
InChI=1S/C14H22O2/c1-13-11-9-7-5-3-2-4-6-8-10-12-14(15)16-13/h3-6,13H,2,7-12H2,1H3/b5-3-,6-4-/t13-/m1/s1
SMILES (Click to copy)
C1(O[C@H](C)CCCC=CCC=CCCC1)=O

Other Databases

CHEBI ID
168751
PubChem CID
56936048

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 1
Aromatic Rings 0
Rotatable Bonds 0
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

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Created at
-
Updated at
28th Feb 2024