Structure Database (LMSD)

Common Name
9R,10S-Epoxy-3Z,6Z-heneicosadiene
Systematic Name
9R,10S-Epoxy-3Z,6Z-heneicosadiene
Synonyms
LM ID
LMFA12000320
Formula
C21H38O
Exact Mass
Calculate m/z
306.292265
Status
Active
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
Oraesia excavata (#1126724)
Insecta (#50557)
Sex Pheromone of the Fruit-Piercing Moth, Oraesia excavata(BUTLER)(Lepidoptera:Noctuidae):Isolation and Identification,
Appl Ent Zoo, 1991

String Representations

InChiKey (Click to copy)
HQCGSJRACGWHOF-AEULXZPHSA-N
InChi (Click to copy)
InChI=1S/C21H38O/c1-3-5-7-9-11-12-13-15-17-19-21-20(22-21)18-16-14-10-8-6-4-2/h6,8,14,16,20-21H,3-5,7,9-13,15,17-19H2,1-2H3/b8-6-,16-14-/t20-,21+/m0/s1
SMILES (Click to copy)
CC/C=C\C/C=C\C[C@@H]1O[C@@H]1CCCCCCCCCCC

Other Databases

PubChem CID
11833742

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

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Created at
-
Updated at
22nd Mar 2024