Structure Database (LMSD)

Common Name
6S,7R-Epoxy-3Z,9Z-octadecadiene
Systematic Name
6S,7R-Epoxy-3Z,9Z-octadecadiene
Synonyms
LM ID
LMFA12000287
Formula
C18H32O
Exact Mass
Calculate m/z
264.245316
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
Ectropis grisescens (#1530245)
Insecta (#50557)
Evidence of Premating Isolation Between Two Sibling Moths: Ectropis grisescens and Ectropis obliqua (Lepidoptera: Geometridae).,
J Econ Entomol, 2017
Pubmed ID: 29029204

String Representations

InChiKey (Click to copy)
RSWYJAMVUDLFEQ-GLPOBPIQSA-N
InChi (Click to copy)
InChI=1S/C18H32O/c1-3-5-7-8-9-10-11-12-14-16-18-17(19-18)15-13-6-4-2/h6,12-14,17-18H,3-5,7-11,15-16H2,1-2H3/b13-6-,14-12-/t17-,18+/m1/s1
SMILES (Click to copy)
CC/C=C\C[C@H]1O[C@H]1C/C=C\CCCCCCCC

Other Databases

PubChem CID
56936250

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 1
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 311.11
Topological Polar Surface Area 12.53
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.38
Molar Refractivity 85.48

Admin

Created at
-
Updated at
8th Jan 2026