Structure Database (LMSD)

Common Name
9S,10R-Epoxy-3Z,6Z-eicosadiene
Systematic Name
9S,10R-Epoxy-3Z,6Z-eicosadiene
Synonyms
LM ID
LMFA12000310
Formula
C20H36O
Exact Mass
Calculate m/z
292.276615
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Oxygenated hydrocarbons [FA12]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Eupithecia annulata (#216864)
Insecta (#50557)
Sex attractants and sex pheromone components of noctuid mothsEuclidea cuspidea,Caenurgina distincta, and geometrid mothEupithecia annulata.,
J Chem Ecol, 1991
Pubmed ID: 24258592

String Representations

InChiKey (Click to copy)
XXOTXZKHNZSWSZ-UGPUFFFLSA-N
InChi (Click to copy)
InChI=1S/C20H36O/c1-3-5-7-9-11-12-14-16-18-20-19(21-20)17-15-13-10-8-6-4-2/h6,8,13,15,19-20H,3-5,7,9-12,14,16-18H2,1-2H3/b8-6-,15-13-/t19-,20+/m1/s1
SMILES (Click to copy)
CC/C=C\C/C=C\C[C@H]1O[C@H]1CCCCCCCCCC

Other Databases

PubChem CID
56936260

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 345.71
Topological Polar Surface Area 12.53
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 7.16
Molar Refractivity 94.72

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Created at
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Updated at
20th Feb 2024