Structure Database (LMSD)

Common Name
cis-9,10-Epoxy-1,3Z,6Z-eicosatriene
Systematic Name
cis-9,10-Epoxy-1,3Z,6Z-eicosatriene
Synonyms
LM ID
LMFA12000308
Formula
C20H34O
Exact Mass
Calculate m/z
290.260966
Status
Curated
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
Hyphantria cunea (#39466)
Insecta (#50557)
Identification of (3Z,6Z)-1,3,6–9,10-epoxyheneicosatriene and (3Z,6Z)-1,3,6–9,10-epoxyeicosatriene in the sex pheromone of hyphantria cunea,
Tetrahedron Letts, 1989

String Representations

InChiKey (Click to copy)
BXFNNIGYLSZPIT-ZJABWGPNSA-N
InChi (Click to copy)
InChI=1S/C20H34O/c1-3-5-7-9-11-12-14-16-18-20-19(21-20)17-15-13-10-8-6-4-2/h4,6,8,13,15,19-20H,2-3,5,7,9-12,14,16-18H2,1H3/b8-6-,15-13-
SMILES (Click to copy)
C=C/C=C\C/C=C\CC1OC1CCCCCCCCCC

Other Databases

PubChem CID
14334002

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 343.07
Topological Polar Surface Area 12.53
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.94
Molar Refractivity 94.62

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Created at
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Updated at
24th Jun 2025