1.0 2010-04-08 22:13:05 UTC 2019-11-26 03:14:50 UTC FDB017428 Carindone Constituent of Carissa carandas (karanda). Carindone is found in beverages and fruits. C31H44O6 512.6775 512.31378914 6,7'-bis(2-hydroxypropan-2-yl)-4,5',8a,9'a-tetramethyl-3,3'a,4',5,6,6',7,7',8,8',8a,9',9'a,9'b-tetradecahydro-1H,3'H-spiro[naphthalene-2,2'-naphtho[1,2-b]furan]-3,3',4'-trione 6,7'-bis(2-hydroxypropan-2-yl)-4,5',8a,9'a-tetramethyl-3'a,5,6,6',7,7',8,8',9',9'b-decahydro-1H-spiro[naphthalene-2,2'-naphtho[1,2-b]furan]-3,3',4'-trione 38045-62-4 CC1=C2CC(CCC2(C)C2OC3(CC4(C)CCC(CC4=C(C)C3=O)C(C)(C)O)C(=O)C2C1=O)C(C)(C)O InChI=1S/C31H44O6/c1-16-21-14-19(28(5,6)36)10-12-30(21,8)26-22(23(16)32)25(34)31(37-26)15-29(7)11-9-18(27(3,4)35)13-20(29)17(2)24(31)33/h18-19,22,26,35-36H,9-15H2,1-8H3 SKUVBRVOKSCXDJ-UHFFFAOYSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic heteropolycyclic compounds Beta-diketones Cyclohexenones Dialkyl ethers Furanones Hydrocarbon derivatives Naphthofurans Organic oxides Oxacyclic compounds Tertiary alcohols Tetrahydrofurans 1,3-dicarbonyl compound 1,3-diketone 3-furanone Alcohol Aliphatic heteropolycyclic compound Carbonyl group Cyclohexenone Dialkyl ether Ether Hydrocarbon derivative Ketone Naphthofuran Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Sesquiterpenoid Tertiary alcohol Tetrahydrofuran logp 3.89 ALOGPS logs -4.98 ALOGPS solubility 5.43e-03 g/l ALOGPS melting_point Mp 262° logp 4.89 ChemAxon pka_strongest_acidic 11.96 ChemAxon pka_strongest_basic -0.6 ChemAxon iupac 6,7'-bis(2-hydroxypropan-2-yl)-4,5',8a,9'a-tetramethyl-3,3'a,4',5,6,6',7,7',8,8',8a,9',9'a,9'b-tetradecahydro-1H,3'H-spiro[naphthalene-2,2'-naphtho[1,2-b]furan]-3,3',4'-trione ChemAxon average_mass 512.6775 ChemAxon mono_mass 512.31378914 ChemAxon smiles CC1=C2CC(CCC2(C)C2OC3(CC4(C)CCC(CC4=C(C)C3=O)C(C)(C)O)C(=O)C2C1=O)C(C)(C)O ChemAxon formula C31H44O6 ChemAxon inchi InChI=1S/C31H44O6/c1-16-21-14-19(28(5,6)36)10-12-30(21,8)26-22(23(16)32)25(34)31(37-26)15-29(7)11-9-18(27(3,4)35)13-20(29)17(2)24(31)33/h18-19,22,26,35-36H,9-15H2,1-8H3 ChemAxon inchikey SKUVBRVOKSCXDJ-UHFFFAOYSA-N ChemAxon polar_surface_area 100.9 ChemAxon refractivity 142.46 ChemAxon polarizability 58.96 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17067 Specdb::CMs 45720 Specdb::MsMs 84318 Specdb::MsMs 84319 Specdb::MsMs 84320 Specdb::MsMs 146145 Specdb::MsMs 146146 Specdb::MsMs 146147 Specdb::MsMs 2395171 Specdb::MsMs 2395172 Specdb::MsMs 2395173 Specdb::MsMs 2540552 Specdb::MsMs 2540553 Specdb::MsMs 2540554 HMDB38189 #<Reference:0x000055ce32557bb0> Beverages Unknown generic Fruits Unknown generic