1.02010-04-08 22:13:04 UTC2019-11-26 03:14:47 UTCFDB017394Vulgarone BConstituent of essential oil of Chrysanthemum vulgare (tansy). Vulgarone B is found in herbs and spices.1-Oxo-a-longipineneLongiverbenone (vulgarone b)Vulgarone BC15H22O218.3346218.1670653262,6,6,11-tetramethyltricyclo[5.4.0.0²,⁸]undec-10-en-9-one2,6,6,11-tetramethyltricyclo[5.4.0.0²,⁸]undec-10-en-9-one64180-68-3CC1=CC(=O)C2C3C1C2(C)CCCC3(C)CInChI=1S/C15H22O/c1-9-8-10(16)12-13-11(9)15(12,4)7-5-6-14(13,2)3/h8,11-13H,5-7H2,1-4H3KTPOZFYJWLGJGH-UHFFFAOYSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.SesquiterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsSesquiterpenoidsAliphatic homopolycyclic compoundsCyclohexenonesHydrocarbon derivativesOrganic oxidesAliphatic homopolycyclic compoundCarbonyl groupCyclohexenoneHydrocarbon derivativeKetoneLongipinane sesquiterpenoidOrganic oxideOrganic oxygen compoundOrganooxygen compoundSesquiterpenoidlogp2.90logs-3.78solubility3.59e-02 g/lmelting_pointMp 35.5-36°logp3.54pka_strongest_acidic19.69pka_strongest_basic-4.8iupac2,6,6,11-tetramethyltricyclo[5.4.0.0²,⁸]undec-10-en-9-oneaverage_mass218.3346mono_mass218.167065326smilesCC1=CC(=O)C2C3C1C2(C)CCCC3(C)CformulaC15H22OinchiInChI=1S/C15H22O/c1-9-8-10(16)12-13-11(9)15(12,4)7-5-6-14(13,2)3/h8,11-13H,5-7H2,1-4H3inchikeyKTPOZFYJWLGJGH-UHFFFAOYSA-Npolar_surface_area17.07refractivity66.34polarizability26.02rotatable_bond_count0acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs14571Specdb::CMs133090Specdb::CMs140824Specdb::MsMs96819Specdb::MsMs96820Specdb::MsMs96821Specdb::MsMs161400Specdb::MsMs161401Specdb::MsMs161402Specdb::MsMs2765501Specdb::MsMs2765502Specdb::MsMs2765503Specdb::MsMs2942926Specdb::MsMs2942927Specdb::MsMs2942928HMDB38164#<Reference:0x0000555675586238>Herbs and SpicesUnknowngeneric