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
Formula
C18H30O2
Exact Mass
Calculate m/z
278.22458
Sum Composition
FA 18:3
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 of a Grain Beetle Macrolide Pheromone and Its Synthesis by Ring-Closing Metathesis Using a Terminal Alkyne.,
Org Lett, 2015
Pubmed ID: 26406161

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

Other Databases

PubChem CID
122217661

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