Structure Database (LMSD)

Common Name
6R,7S-Epoxy-3Z,9Z-eicosadiene
Systematic Name
6R,7S-Epoxy-3Z,9Z-eicosadiene
Synonyms
LM ID
LMFA12000311
Formula
C20H36O
Exact Mass
Calculate m/z
292.276615
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

String Representations

InChiKey (Click to copy)
QBCBDINXYRUHGT-QEZHFABXSA-N
InChi (Click to copy)
InChI=1S/C20H36O/c1-3-5-7-8-9-10-11-12-13-14-16-18-20-19(21-20)17-15-6-4-2/h6,14-16,19-20H,3-5,7-13,17-18H2,1-2H3/b15-6-,16-14-/t19-,20+/m0/s1
SMILES (Click to copy)
CC/C=C\C[C@@H]1O[C@@H]1C/C=C\CCCCCCCCCC

Other Databases

CHEBI ID
188965
PubChem CID
56936261

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 345.71
Topological Polar Surface Area 12.53
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 7.16
Molar Refractivity 94.72

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Created at
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Updated at
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