Structure Database (LMSD)

Common Name
R-cucujolide V
Systematic Name
5Z,8Z-Tetradecadien-13R-olide
Synonyms
LM ID
LMFA07040048
Status
Active
Exact Mass
Calculate m/z
222.16198
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

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
Oryzaephilus surinamensis (#41112)
Insecta (#50557)
Chirality of macrolide pheromones of grain beetles in the generaOryzaephilusandCryptolestes and its implications for species specificity.,
J Chem Ecol, 1987
Pubmed ID: 24302251

Other Databases

CHEBI ID
PubChem CID

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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Updated at
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