Structure Database (LMSD)

Common Name
trans-11S,12S-Epoxy-6Z,9Z-heneicosadiene
Systematic Name
trans-11S,12S-Epoxy-6Z,9Z-heneicosadiene
Synonyms
LM ID
LMFA12000325
Formula
C21H38O
Exact Mass
Calculate m/z
306.292265
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)
AZNAATMZDDJQSS-SCMRAZOXSA-N
InChi (Click to copy)
InChI=1S/C21H38O/c1-3-5-7-9-11-13-15-17-19-21-20(22-21)18-16-14-12-10-8-6-4-2/h11,13,17,19-21H,3-10,12,14-16,18H2,1-2H3/b13-11-,19-17-/t20-,21-/m0/s1
SMILES (Click to copy)
CCCCC/C=C\C/C=C\[C@@H]1O[C@H]1CCCCCCCCC

Other Databases

PubChem CID
10494907

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
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