1.02010-04-08 22:11:57 UTC2019-11-26 03:11:56 UTCFDB0156162,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-diene-7,8-diolFrom quince (Cydonia oblonga). 2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-diene-7,8-diol is found in quince and fruits.2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-diene-7,8-diol2,4,5,7a-Tetrahydro-1,4,4,7a-tetramethyl-1H-indene-1,2-diol, 9CIC13H20O2208.2967208.146329884(1R,2R,7aR)-1,4,4,7a-tetramethyl-2,4,5,7a-tetrahydro-1H-indene-1,2-diol(1R,2R,7aR)-1,4,4,7a-tetramethyl-2,5-dihydroindene-1,2-diol99901-24-3C[C@]1(O)[C@H](O)C=C2[C@@]1(C)C=CCC2(C)CInChI=1S/C13H20O2/c1-11(2)6-5-7-12(3)9(11)8-10(14)13(12,4)15/h5,7-8,10,14-15H,6H2,1-4H3/t10-,12-,13+/m1/s1SKBCVUCDJRKPAH-RTXFEEFZSA-N belongs to the class of organic compounds known as tertiary alcohols. Tertiary alcohols are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).Tertiary alcoholsOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsAlcohols and polyolsAliphatic homopolycyclic compounds1,2-diolsHydrocarbon derivativesSecondary alcohols1,2-diolAliphatic homopolycyclic compoundHydrocarbon derivativeSecondary alcoholTertiary alcohollogp2.52logs-2.21solubility1.29e+00 g/llogp1.47pka_strongest_acidic13.22pka_strongest_basic-3.4iupac(1R,2R,7aR)-1,4,4,7a-tetramethyl-2,4,5,7a-tetrahydro-1H-indene-1,2-diolaverage_mass208.2967mono_mass208.146329884smilesC[C@]1(O)[C@H](O)C=C2[C@@]1(C)C=CCC2(C)CformulaC13H20O2inchiInChI=1S/C13H20O2/c1-11(2)6-5-7-12(3)9(11)8-10(14)13(12,4)15/h5,7-8,10,14-15H,6H2,1-4H3/t10-,12-,13+/m1/s1inchikeySKBCVUCDJRKPAH-RTXFEEFZSA-Npolar_surface_area40.46refractivity62.33polarizability23.62rotatable_bond_count0acceptor_count2donor_count2physiological_charge0formal_charge0Specdb::MsIr7306Specdb::MsIr7307Specdb::MsIr7308Specdb::CMs17251Specdb::CMs44973Specdb::CMs150833Specdb::MsMs51573Specdb::MsMs51574Specdb::MsMs51575Specdb::MsMs146271Specdb::MsMs146272Specdb::MsMs146273Specdb::MsMs2275797Specdb::MsMs2275798Specdb::MsMs2275799Specdb::MsMs3093553Specdb::MsMs3093554Specdb::MsMs3093555HMDB36686#<Reference:0x0000555675b232e0>FruitsUnknowngenericQuinceType 1specificCydonia oblonga36610