Structure Database (LMSD)

Common Name
9S,10R-Epoxy-3Z,6Z-octadecadiene
Systematic Name
9S,10R-Epoxy-3Z,6Z-octadecadiene
Synonyms
LM ID
LMFA12000286
Formula
C17H30O
Exact Mass
Calculate m/z
250.229666
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
Phthonandria atrilineata (#339843)
Insecta (#50557)
Resolution of epoxydienes by reversed-phase chiral HPLC and its application to stereochemistry assignment of mulberry looper sex pheromone.,
J Chem Ecol, 1999

String Representations

InChiKey (Click to copy)
CNYHVWZOWVYRKM-YNOGVTSOSA-N
InChi (Click to copy)
InChI=1S/C17H30O/c1-3-5-7-9-11-13-15-17-16(18-17)14-12-10-8-6-4-2/h4,6,10,12,16-17H,3,5,7-9,11,13-15H2,1-2H3/b6-4-,12-10-/t16-,17+/m0/s1
SMILES (Click to copy)
CCCCCCCC[C@H]1O[C@H]1C/C=C\C/C=C\C

Other Databases

PubChem CID
56936249

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 1
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 293.81
Topological Polar Surface Area 12.53
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.99
Molar Refractivity 80.87

Admin

Created at
-
Updated at
13th Dec 2024