Structure Database (LMSD)

Common Name
9R,10S-Epoxy-6Z-eicosene
Systematic Name
9R,10S-Epoxy-6Z-eicosene
Synonyms
LM ID
LMFA12000307
Formula
C20H38O
Exact Mass
Calculate m/z
294.292266
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
Teia anartoides (#345880)
Insecta (#50557)
Identification of sex pheromone components of the painted apple moth: a tussock moth with a thermally labile pheromone component.,
J Chem Ecol, 2005
Pubmed ID: 15898505

String Representations

InChiKey (Click to copy)
JJKUQABYACBLID-MJULWQABSA-N
InChi (Click to copy)
InChI=1S/C20H38O/c1-3-5-7-9-11-12-14-16-18-20-19(21-20)17-15-13-10-8-6-4-2/h13,15,19-20H,3-12,14,16-18H2,1-2H3/b15-13-/t19-,20+/m0/s1
SMILES (Click to copy)
CCCCC/C=C\C[C@@H]1O[C@@H]1CCCCCCCCCC

Other Databases

CHEBI ID
179669
PubChem CID
15708134

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 348.35
Topological Polar Surface Area 12.53
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 7.38
Molar Refractivity 94.81

Admin

Created at
-
Updated at
24th Jun 2025