Structure Database (LMSD)
Common Name
cucujolide XI
Systematic Name
9Z,12Z-octadecen-15R-olide
Synonyms
- (9Z,12Z,15R)-octadeca-9,12-dien-15-olide
Main
Classification
String Representations
InChiKey (Click to copy)
IRPJCUWMPPZCJN-SPSBLGDNSA-N
InChi (Click to copy)
InChI=1S/C18H30O2/c1-2-14-17-15-12-10-8-6-4-3-5-7-9-11-13-16-18(19)20-17/h4,6,10,12,17H,2-3,5,7-9,11,13-16H2,1H3/b6-4-,12-10-/t17-/m1/s1
SMILES (Click to copy)
C1(CCCCCCCC=CCC=CC[C@@H](CCC)O1)=O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Oryzaephilus surinamensis
(#41112)
Insecta
(#50557)
Identification of a Grain Beetle Macrolide Pheromone and Its Synthesis by Ring-Closing Metathesis Using a Terminal Alkyne.,
Org Lett, 2015
Org Lett, 2015
Pubmed ID:
26406161
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
1
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
317.26
Topological Polar Surface Area
28.37
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
5.62
Molar Refractivity
85.13
Admin
Created at
14th Feb 2021
Updated at
14th Feb 2021