1.0 2010-04-08 22:11:15 UTC 2019-11-26 03:09:58 UTC FDB014400 Dukunolide A Constituent of Lansium domesticum (langsat). Dukunolide A is found in fruits. 1,1,1-Trifluoro-2-octanol 1,1,1-Trifluorooctan-2-ol 2-Octanol, 1,1,1-trifluoro- C26H26O9 482.4792 482.15768243 18-(furan-3-yl)-2,11-dihydroxy-3,9,9,17-tetramethyl-4,7,19-trioxahexacyclo[11.7.1.0²,¹¹.0³,⁸.0⁶,⁸.0¹⁷,²¹]henicosa-1(21),13-diene-5,10,20-trione 18-(furan-3-yl)-2,11-dihydroxy-3,9,9,17-tetramethyl-4,7,19-trioxahexacyclo[11.7.1.0²,¹¹.0³,⁸.0⁶,⁸.0¹⁷,²¹]henicosa-1(21),13-diene-5,10,20-trione 97804-04-1 CC12OC(=O)C3OC13C(C)(C)C(=O)C1(O)CC3=CCCC4(C)C(OC(=O)C(=C34)C21O)C1=COC=C1 InChI=1S/C26H26O9/c1-21(2)20(29)24(30)10-12-6-5-8-22(3)14(12)15(18(27)33-16(22)13-7-9-32-11-13)25(24,31)23(4)26(21)17(34-26)19(28)35-23/h6-7,9,11,16-17,30-31H,5,8,10H2,1-4H3 BATTZJIKLZSIAU-UHFFFAOYSA-N belongs to the class of organic compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. Naphthopyrans Organic compounds Organoheterocyclic compounds Naphthopyrans Aromatic heteropolycyclic compounds 1,2-diols 1,4-dioxanes Cyclic alcohols and derivatives Dialkyl ethers Dicarboxylic acids and derivatives Dihydropyranones Enoate esters Epoxides Furans Gamma butyrolactones Heteroaromatic compounds Hydrocarbon derivatives Ketones Naphthalenes Naphthofurans Organic oxides Oxacyclic compounds Tertiary alcohols Tetrahydrofurans 1,2-diol Alcohol Alpha,beta-unsaturated carboxylic ester Aromatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Dialkyl ether Dicarboxylic acid or derivatives Dihydropyranone Enoate ester Ether Furan Gamma butyrolactone Heteroaromatic compound Hydrocarbon derivative Ketone Lactone Naphthalene Naphthofuran Naphthopyran Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Oxirane Para-dioxane Pyran Tertiary alcohol Tetrahydrofuran logp 2.04 ALOGPS logs -3.24 ALOGPS solubility 2.75e-01 g/l ALOGPS melting_point Mp 279-281° logp 1.88 ChemAxon pka_strongest_acidic 11.33 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac 18-(furan-3-yl)-2,11-dihydroxy-3,9,9,17-tetramethyl-4,7,19-trioxahexacyclo[11.7.1.0²,¹¹.0³,⁸.0⁶,⁸.0¹⁷,²¹]henicosa-1(21),13-diene-5,10,20-trione ChemAxon average_mass 482.4792 ChemAxon mono_mass 482.15768243 ChemAxon smiles CC12OC(=O)C3OC13C(C)(C)C(=O)C1(O)CC3=CCCC4(C)C(OC(=O)C(=C34)C21O)C1=COC=C1 ChemAxon formula C26H26O9 ChemAxon inchi InChI=1S/C26H26O9/c1-21(2)20(29)24(30)10-12-6-5-8-22(3)14(12)15(18(27)33-16(22)13-7-9-32-11-13)25(24,31)23(4)26(21)17(34-26)19(28)35-23/h6-7,9,11,16-17,30-31H,5,8,10H2,1-4H3 ChemAxon inchikey BATTZJIKLZSIAU-UHFFFAOYSA-N ChemAxon polar_surface_area 135.8 ChemAxon refractivity 117.14 ChemAxon polarizability 47.54 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24788 Specdb::CMs 44501 Specdb::CMs 154607 Specdb::CMs 163204 Specdb::CMs 163206 Specdb::CMs 163208 Specdb::CMs 280448 Specdb::MsMs 96030 Specdb::MsMs 96031 Specdb::MsMs 96032 Specdb::MsMs 160428 Specdb::MsMs 160429 Specdb::MsMs 160430 Specdb::MsMs 2269069 Specdb::MsMs 2269070 Specdb::MsMs 2269071 Specdb::MsMs 3073389 Specdb::MsMs 3073390 Specdb::MsMs 3073391 HMDB35683 #<Reference:0x000055ce30784e30> Fruits Unknown generic