Structure Database (LMSD)

O
Common Name
9R,10S-Epoxy-3Z,6Z-eicosadiene
Systematic Name
9R,10S-Epoxy-3Z,6Z-eicosadiene
Synonyms
LM ID
LMFA12000309
Formula
C20H36O
Exact Mass
Calculate m/z
292.276615
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Oxygenated hydrocarbons [FA12]

String Representations

InChiKey (Click to copy)
XXOTXZKHNZSWSZ-RYKHLLNTSA-N
InChi (Click to copy)
InChI=1S/C20H36O/c1-3-5-7-9-11-12-14-16-18-20-19(21-20)17-15-13-10-8-6-4-2/h6,8,13,15,19-20H,3-5,7,9-12,14,16-18H2,1-2H3/b8-6-,15-13-/t19-,20+/m0/s1
SMILES (Click to copy)
CC/C=C\C/C=C\C[C@@H]1O[C@@H]1CCCCCCCCCC

References

Comments
Pherobase Semiochemicals

Other Databases

CHEBI ID
188203
PubChem CID
56936259

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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