Structure Database (LMSD)

Common Name
cucujolide XI
Systematic Name
9Z,12Z-octadecen-15R-olide
Synonyms
  • (9Z,12Z,15R)-octadeca-9,12-dien-15-olide
LM ID
LMFA07040144
Status
Active
Exact Mass
Calculate m/z
278.22458
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)
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
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