Structure database (LMSD)

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LM IDLMFA07040144
Common Namecucujolide XI
Systematic Name9Z,12Z-octadecen-15R-olide
Synonyms(9Z,12Z,15R)-octadeca-9,12-dien-15-olide
Exact Mass
278.2246 (neutral)    Calculate m/z:
FormulaC18H30O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassLactones [FA0704]
AbbrevFA 18:3
PubChem CID122217661
InChIKeyIRPJCUWMPPZCJN-SPSBLGDNSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C18H30O2/c1-2-14-17-15-12-10-8-6-4-3-5-7-9-11-13-16-18(19)20-17/h4,6,10,12,17H,2-3,5,7-9,11,13-16H2,1H3/b6-4-,12-10-/t17-/m1/s1
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SMILES
C1(CCCCCCCC=CCC=CC[C@@H](CCC)O1)=O
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StatusActive
ReferencesIdentification of a Grain Beetle Macrolide Pheromone and Its Synthesis by Ring-Closing Metathesis Using a Terminal Alkyne.
Org Lett, 2015
DOI: 10.1021/acs.orglett.5b02461
PMID: 26406161
Calculated physicochemical properties (?):
 Heavy Atoms20Rings1Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
317.26Topological Polar
Surface Area
28.37Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP5.62Molar
Refractivity
85.13