Structure Database (LMSD)

O
Common Name
9S,10R-Epoxy-6Z,12Z-nonadecadiene
Systematic Name
9S,10R-Epoxy-6Z,12Z-nonadecadiene
Synonyms
LM ID
LMFA12000298
Formula
C19H34O
Exact Mass
Calculate m/z
278.260965
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)
XOZVBTAYAJNHHT-GDXUJIHOSA-N
InChi (Click to copy)
InChI=1S/C19H34O/c1-3-5-7-9-11-13-15-17-19-18(20-19)16-14-12-10-8-6-4-2/h12-15,18-19H,3-11,16-17H2,1-2H3/b14-12-,15-13-/t18-,19+/m0/s1
SMILES (Click to copy)
CCCCC/C=C\C[C@@H]1O[C@@H]1C/C=C\CCCCCC

References

Comments
Pherobase Semiochemicals

Other Databases

CHEBI ID
179590
PubChem CID
56936253

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 328.41
Topological Polar Surface Area 12.53
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.77
Molar Refractivity 90.10

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Updated at
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