Structure database (LMSD)

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LM IDLMFA01070021
Common NameAlchornoic acid
Systematic Name14S,15R-epoxy-11Z-eicosenoic acid
SynonymsAlchornic acid
Exact Mass
324.2664 (neutral)    Calculate m/z:
FormulaC20H36O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassEpoxy fatty acids [FA0107]
Alternative ClassesUnsaturated fatty acids[FA0103]
PubChem CID44256507
PlantFA ID10192
InChIKeyIQTLUAOJSNPZIR-QOLSVTOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H36O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)2
2/h10,13,18-19H,2-9,11-12,14-17H2,1H3,(H,21,22)/b13-10-/t18-,19+/m1/s1
SMILESC(CCCCCCCCC/C=C\C[C@@H]1O[C@@H]1CCCCC)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings1Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
363.29Topological Polar
Surface Area
49.83Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP6.45Molar
Refractivity
96.77