Structure Database (LMSD)

Common Name
(+)-Monaohalure
Systematic Name
7R,8S-Epoxyoctadecane
Synonyms
LM ID
LMFA12000280
Formula
C18H36O
Exact Mass
Calculate m/z
268.276616
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
synthetic construct (#32630)
Specificity of nun and gypsy moth sexual communication through multiple-component pheromone blends.,
Naturwissenschaften, 1996

String Representations

InChiKey (Click to copy)
ABMJUFOPOPEJRG-MSOLQXFVSA-N
InChi (Click to copy)
InChI=1S/C18H36O/c1-3-5-7-9-10-11-12-14-16-18-17(19-18)15-13-8-6-4-2/h17-18H,3-16H2,1-2H3/t17-,18+/m1/s1
SMILES (Click to copy)
CCCCCC[C@H]1O[C@H]1CCCCCCCCCC

Other Databases

PubChem CID
22878724

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 316.39
Topological Polar Surface Area 12.53
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.83
Molar Refractivity 85.67

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Created at
-
Updated at
28th Nov 2025