Structure database (LMSD)

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LM IDLMFA07010014
Common NameMayolene-18
Systematic Name11R-octadecanoyloxyoctadeca-9Z,12Z,15Z-trienoic acid
Synonyms-
Exact Mass
560.4805 (neutral)    Calculate m/z:
FormulaC36H64O4
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
Alternative ClassesUnsaturated fatty acids[FA0103]
PubChem CID52922006
InChIKeyRFJCITQJURPJMT-INOIBKDBSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C36H64O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-25-29-33-36(39)40-34(30-
26-22-8-6-4-2)31-27-23-19-18-20-24-28-32-35(37)38/h6,8,26-27,30-31,34H,3-5,7,9-2
5,28-29,32-33H2,1-2H3,(H,37,38)/b8-6-,30-26-,31-27-/t34-/m0/s1
SMILESC(CCCCCCC/C=C\[C@@H](OC(CCCCCCCCCCCCCCCCC)=O)/C=C\C/C=C\CC)(=O)O
StatusActive
ReferencesSynthesis of Mayolene-16 and Mayolene-18:
Larval Defensive Lipids from the European Cabbage Butterfly
D. B. Weibel et al.
J. Org. Chem., 2002, 67 (17), pp 5896-5900
Calculated physicochemical properties (?):
 Heavy Atoms40Rings0Aromatic Rings0Rotatable Bonds31
 van der Waals
Molecular Volume
653.32Topological Polar
Surface Area
63.60Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
4
 logP11.73Molar
Refractivity
172.22