Structure Database (LMSD)

Common Name
6S,7R-Epoxy-3Z,9Z-heneicosadiene
Systematic Name
6S,7R-Epoxy-3Z,9Z-heneicosadiene
Synonyms
LM ID
LMFA12000323
Formula
C21H38O
Exact Mass
Calculate m/z
306.292266
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
synthetic construct (#32630)
Chiral Lepidopteran Sex Attractants: Blends of Optically Active C 20 and C 21 Diene Epoxides as Sex Attractants for Geometrid and Noctuid Moths (Lepidoptera),
Env Entomol, 1991

String Representations

InChiKey (Click to copy)
JZOOOEAWXPHPCD-WAPFTGTESA-N
InChi (Click to copy)
InChI=1S/C21H38O/c1-3-5-7-8-9-10-11-12-13-14-15-17-19-21-20(22-21)18-16-6-4-2/h6,15-17,20-21H,3-5,7-14,18-19H2,1-2H3/b16-6-,17-15-/t20-,21+/m1/s1
SMILES (Click to copy)
CC/C=C\C[C@H]1O[C@H]1C/C=C\CCCCCCCCCCC

Other Databases

PubChem CID
56936265

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 1
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 363.01
Topological Polar Surface Area 12.53
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 7.55
Molar Refractivity 99.33

Admin

Created at
-
Updated at
10th Oct 2025