1.02010-04-08 22:11:59 UTC2019-11-26 03:12:02 UTCFDB015686Momilactone AConstituent of Oryza sativa (rice). Momilactone A is found in cereals and cereal products and rice.3-Oxo-7,15-pimaradien-19,6-olide3-oxo-9beta-pimara-7,15-dien-19,6beta-olide6beta,18-epoxy-9beta-pimara-7,15-diene-3,18-dioneMomilacton aMomilactone AC20H26O3314.4186314.1881946985-ethenyl-1,5,12-trimethyl-10-oxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadec-7-ene-11,13-dione5-ethenyl-1,5,12-trimethyl-10-oxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadec-7-ene-11,13-dione51415-07-7CC12C3C(OC1=O)C=C1CC(C)(CCC1C3(C)CCC2=O)C=CInChI=1S/C20H26O3/c1-5-18(2)8-6-13-12(11-18)10-14-16-19(13,3)9-7-15(21)20(16,4)17(22)23-14/h5,10,13-14,16H,1,6-9,11H2,2-4H3MPHXYQVSOFGNEN-UHFFFAOYSA-N belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety.Diterpene lactonesOrganic compoundsLipids and lipid-like moleculesPrenol lipidsTerpene lactonesAliphatic heteropolycyclic compoundsCarboxylic acid estersDiterpenoidsGamma butyrolactonesHydrocarbon derivativesKetonesMonocarboxylic acids and derivativesNaphthofuransOrganic oxidesOxacyclic compoundsTetrahydrofuransAliphatic heteropolycyclic compoundCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterDiterpene lactoneDiterpenoidGamma butyrolactoneHydrocarbon derivativeKetoneLactoneMonocarboxylic acid or derivativesNaphthofuranOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePimarane diterpenoidTetrahydrofuranPimarane diterpenoidsPimarane diterpenoidsditerpene lactonepimarane diterpenoidlogp3.42logs-5.07solubility2.66e-03 g/lmelting_pointMp 235-236° dec.logp3.91pka_strongest_acidic18.85pka_strongest_basic-7.1iupac5-ethenyl-1,5,12-trimethyl-10-oxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadec-7-ene-11,13-dioneaverage_mass314.4186mono_mass314.188194698smilesCC12C3C(OC1=O)C=C1CC(C)(CCC1C3(C)CCC2=O)C=CformulaC20H26O3inchiInChI=1S/C20H26O3/c1-5-18(2)8-6-13-12(11-18)10-14-16-19(13,3)9-7-15(21)20(16,4)17(22)23-14/h5,10,13-14,16H,1,6-9,11H2,2-4H3inchikeyMPHXYQVSOFGNEN-UHFFFAOYSA-Npolar_surface_area43.37refractivity88.97polarizability34.95rotatable_bond_count1acceptor_count2donor_count0physiological_charge0formal_charge0Specdb::CMs10107Specdb::CMs147682Specdb::MsMs60816Specdb::MsMs60817Specdb::MsMs60818Specdb::MsMs117234Specdb::MsMs117235Specdb::MsMs117236Specdb::MsMs2668384Specdb::MsMs2668385Specdb::MsMs2668386Specdb::MsMs3013121Specdb::MsMs3013122Specdb::MsMs3013123HMDB3674849191#<Reference:0x0000555675acbc48>Breakfast cerealType 2specificCereals and cereal productsUnknowngenericRiceType 1specificOryza sativa45300.40.40.4mg/100 g