Structure Database (LMSD)

O O
Common Name
cis-6R,7S-cis-9R,10S-Diepoxy-3Z-heneicosene
Systematic Name
cis-6R,7S-cis-9R,10S-Diepoxy-3Z-heneicosene
Synonyms
LM ID
LMFA12000314
Formula
C21H38O2
Exact Mass
Calculate m/z
322.28718
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)
TWQDAGQBBAFCRD-DJJHFQMCSA-N
InChi (Click to copy)
InChI=1S/C21H38O2/c1-3-5-7-8-9-10-11-12-14-16-19-21(23-19)17-20-18(22-20)15-13-6-4-2/h6,13,18-21H,3-5,7-12,14-17H2,1-2H3/b13-6-/t18-,19+,20+,21-/m1/s1
SMILES (Click to copy)
C(/C=C\CC)[C@H]1O[C@H]1C[C@H]1O[C@H]1CCCCCCCCCCC

References

Comments
Pherobase Semiochemicals

Other Databases

PubChem CID
12038843

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 2
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 362.08
Topological Polar Surface Area 25.06
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 7.33
Molar Refractivity 99.88

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Updated at
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