Structure Database (LMSD)

Common Name
3Z6R7S9R10S-leucomalure
Systematic Name
cis-6R,7S-cis-9R,10S-Diepoxy-3Z-heneicosene
Synonyms
LM ID
LMFA12000314
Formula
C21H38O2
Exact Mass
Calculate m/z
322.287181
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
Leucoma salicis (#688415)
Insecta (#50557)
Absolute configuration of the major sex pheromone component of the satin moth, Leucoma salicis, verified by field trapping test in Hungary,
Chemoecology, 2005

String Representations

InChiKey (Click to copy)
TWQDAGQBBAFCRD-DJJHFQMCSA-N
InChi (Click to copy)
InChI=1S/C21H38O2/c1-3-5-7-8-9-10-11-12-14-16-19-21(23-19)17-20-18(22-20)15-13-6-4-2/h6,13,18-21H,3-5,7-12,14-17H2,1-2H3/b13-6-/t18-,19+,20+,21-/m1/s1
SMILES (Click to copy)
C(/C=C\CC)[C@H]1O[C@H]1C[C@H]1O[C@H]1CCCCCCCCCCC

Other Databases

PubChem CID
12038843

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 2
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 362.08
Topological Polar Surface Area 25.06
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 7.33
Molar Refractivity 99.88

Admin

Created at
-
Updated at
30th Jun 2025