Structure Database (LMSD)

Common Name
17(18)-Epoxy-11Z,14Z-Eicosadienoic acid
Systematic Name
17,18-Epoxy-11Z,14Z-Eicosadienoic acid
Synonyms
  • 17,18-Epoxy-Z,Z-11,14-Eicosadienoic acid
  • (11Z,14Z)-16-(3-Ethyl-2-oxiranyl)-11,14-hexadecadienoic acid
  • 17,18-Epoxy-Eicosa-11c,14c-dienoic acid
LM ID
LMFA01070029
Status
Active
Exact Mass
Calculate m/z
322.250795
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
WKQIFAMQDFHXAL-HWXFIQLYSA-N
InChi (Click to copy)
InChI=1S/C20H34O3/c1-2-18-19(23-18)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(21)22/h6,8,12,14,18-19H,2-5,7,9-11,13,15-17H2,1H3,(H,21,22)/b8-6-,14-12-
SMILES (Click to copy)
C(CCCCCCCCC/C=C\C/C=C\CC1OC1CC)(=O)O

References

Other Databases

PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 1
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 360.65
Topological Polar Surface Area 49.83
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 6.22
Molar Refractivity 96.68

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Created at
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Updated at
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