Structure database (LMSD)

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LM IDLMFA07040058
Common Name20-Eicosanolide
Systematic Name20-Eicosanolide
Synonyms-
Exact Mass
310.2872 (neutral)    Calculate m/z:
FormulaC20H38O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassLactones [FA0704]
Alternative ClassesCarbocyclic fatty acids[FA0114]
AbbrevFA 20:1
PubChem CID10913938
InChIKeyXNVIXRMFBUDCLP-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H38O2/c21-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-22-20/h1-19H2
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SMILES
C1(OCCCCCCCCCCCCCCCCCCC1)=O
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StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms22Rings1Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
357.14Topological Polar
Surface Area
28.37Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP6.85Molar
Refractivity
94.56