Structure Database (LMSD)

Common Name
cis-3,4-Epoxy-6Z,9Z-heneicosadiene
Systematic Name
cis-3,4-Epoxy-6Z,9Z-heneicosadiene
Synonyms
LM ID
LMFA12000324
Formula
C21H38O
Exact Mass
Calculate m/z
306.292265
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
Euclidia cuspidea (#691575)
Insecta (#50557)
Sex attractants and sex pheromone components of noctuid mothsEuclidea cuspidea,Caenurgina distincta, and geometrid mothEupithecia annulata.,
J Chem Ecol, 1991
Pubmed ID: 24258592

String Representations

InChiKey (Click to copy)
KSZIAUPMMYYHSG-NFYLBXPESA-N
InChi (Click to copy)
InChI=1S/C21H38O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-20(4-2)22-21/h14-15,17-18,20-21H,3-13,16,19H2,1-2H3/b15-14-,18-17-
SMILES (Click to copy)
CCC1OC1C/C=C\C/C=C\CCCCCCCCCCC

Other Databases

PubChem CID
56936266

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
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Updated at
29th Nov 2024