Structure Database (LMSD)

O
Common Name
7-methyl-cis-8,9-Epoxy-tricosane
Systematic Name
7-methyl-cis-8,9-Epoxy-tricosane
Synonyms
LM ID
LMFA12000326
Formula
C23H46O
Exact Mass
Calculate m/z
338.354865
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)
SMZLXBDFGGBYQF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H46O/c1-4-6-8-10-11-12-13-14-15-16-18-20-22-23(24-22)21(3)19-17-9-7-5-2/h21-23H,4-20H2,1-3H3
SMILES (Click to copy)
O1C(CCCCCCCCCCCCC)C1C(CCCCCC)C

References

Comments
Pherobase Semiochemicals

Other Databases

CHEBI ID
187961
PubChem CID
56936267

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 1
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 402.89
Topological Polar Surface Area 12.53
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 8.63
Molar Refractivity 108.69

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Created at
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Updated at
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