1.0 2010-04-08 22:12:01 UTC 2019-11-26 03:12:06 UTC FDB015719 Diosbulbin B Constituent of Dioscorea bulbifera (air potato). Diosbulbin B is found in root vegetables. 8b,12a:15,16-Diepoxy-19-nor-13(16),14-clerodadiene-17,6b:18,2a-diolide C19H20O6 344.3585 344.125988372 3-(furan-3-yl)-5-methyl-2,9,14-trioxapentacyclo[11.2.1.1⁸,¹¹.0¹,⁵.0⁶,¹²]heptadecane-10,15-dione 3-(furan-3-yl)-5-methyl-2,9,14-trioxapentacyclo[11.2.1.1⁸,¹¹.0¹,⁵.0⁶,¹²]heptadecane-10,15-dione 20086-06-0 CC12CC(OC11CC(OC1=O)C1C3CC(CC21)OC3=O)C1=COC=C1 InChI=1S/C19H20O6/c1-18-6-13(9-2-3-22-8-9)25-19(18)7-14(24-17(19)21)15-11-4-10(5-12(15)18)23-16(11)20/h2-3,8,10-15H,4-7H2,1H3 QEANLIISUSNNDX-UHFFFAOYSA-N belongs to the class of organic compounds known as naphthofurans. Naphthofurans are compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. Naphthofurans Organic compounds Organoheterocyclic compounds Naphthofurans Aromatic heteropolycyclic compounds Carbonyl compounds Carboxylic acid esters Dialkyl ethers Dicarboxylic acids and derivatives Furans Gamma butyrolactones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Oxepanes Tetrahydrofurans Aromatic heteropolycyclic compound Caprolactone Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Dicarboxylic acid or derivatives Ether Furan Gamma butyrolactone Heteroaromatic compound Hydrocarbon derivative Lactone Naphthofuran Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Oxepane Tetrahydrofuran logp 1.80 ALOGPS logs -3.21 ALOGPS solubility 2.11e-01 g/l ALOGPS melting_point Mp 285° dec. logp 1.61 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac 3-(furan-3-yl)-5-methyl-2,9,14-trioxapentacyclo[11.2.1.1⁸,¹¹.0¹,⁵.0⁶,¹²]heptadecane-10,15-dione ChemAxon average_mass 344.3585 ChemAxon mono_mass 344.125988372 ChemAxon smiles CC12CC(OC11CC(OC1=O)C1C3CC(CC21)OC3=O)C1=COC=C1 ChemAxon formula C19H20O6 ChemAxon inchi InChI=1S/C19H20O6/c1-18-6-13(9-2-3-22-8-9)25-19(18)7-14(24-17(19)21)15-11-4-10(5-12(15)18)23-16(11)20/h2-3,8,10-15H,4-7H2,1H3 ChemAxon inchikey QEANLIISUSNNDX-UHFFFAOYSA-N ChemAxon polar_surface_area 74.97 ChemAxon refractivity 83.06 ChemAxon polarizability 34 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10230 Specdb::CMs 135545 Specdb::CMs 143279 Specdb::MsMs 99777 Specdb::MsMs 99778 Specdb::MsMs 99779 Specdb::MsMs 164961 Specdb::MsMs 164962 Specdb::MsMs 164963 Specdb::MsMs 2771564 Specdb::MsMs 2771565 Specdb::MsMs 2771566 Specdb::MsMs 2909990 Specdb::MsMs 2909991 Specdb::MsMs 2909992 HMDB36777 #<Reference:0x000055ce31de2f88> Root vegetables Unknown generic