1.0 2010-04-08 22:12:01 UTC 2019-11-26 03:12:06 UTC FDB015721 Diosbulbin E Constituent of Dioscorea bulbifera (air potato). Diosbulbin E is found in root vegetables. Diosbulbin E Diosbulbin-e C19H22O6 346.3744 346.141638436 8-(furan-3-yl)-3-hydroxy-10-methyl-7,14-dioxatetracyclo[11.2.1.0²,¹¹.0⁵,¹⁰]hexadecane-6,15-dione 8-(furan-3-yl)-3-hydroxy-10-methyl-7,14-dioxatetracyclo[11.2.1.0²,¹¹.0⁵,¹⁰]hexadecane-6,15-dione 67567-14-0 CC12CC(OC(=O)C1CC(O)C1C3CC(CC21)OC3=O)C1=COC=C1 InChI=1S/C19H22O6/c1-19-7-15(9-2-3-23-8-9)25-18(22)13(19)6-14(20)16-11-4-10(5-12(16)19)24-17(11)21/h2-3,8,10-16,20H,4-7H2,1H3 OEIFXOHVCYVTGK-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 Carbonyl compounds Carboxylic acid esters Cyclic alcohols and derivatives Delta valerolactones Dicarboxylic acids and derivatives Furans Gamma butyrolactones Heteroaromatic compounds Hydrocarbon derivatives Naphthalenes Organic oxides Oxacyclic compounds Oxanes Oxepanes Pyrans Secondary alcohols Tetrahydrofurans Alcohol Aromatic heteropolycyclic compound Caprolactone Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Delta valerolactone Delta_valerolactone Dicarboxylic acid or derivatives Furan Gamma butyrolactone Heteroaromatic compound Hydrocarbon derivative Lactone Naphthalene Naphthopyran Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Oxane Oxepane Pyran Secondary alcohol Tetrahydrofuran logp 1.57 ALOGPS logs -3.07 ALOGPS solubility 2.97e-01 g/l ALOGPS melting_point Mp 235-237° logp 1.27 ChemAxon pka_strongest_acidic 14.88 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 8-(furan-3-yl)-3-hydroxy-10-methyl-7,14-dioxatetracyclo[11.2.1.0²,¹¹.0⁵,¹⁰]hexadecane-6,15-dione ChemAxon average_mass 346.3744 ChemAxon mono_mass 346.141638436 ChemAxon smiles CC12CC(OC(=O)C1CC(O)C1C3CC(CC21)OC3=O)C1=COC=C1 ChemAxon formula C19H22O6 ChemAxon inchi InChI=1S/C19H22O6/c1-19-7-15(9-2-3-23-8-9)25-18(22)13(19)6-14(20)16-11-4-10(5-12(16)19)24-17(11)21/h2-3,8,10-16,20H,4-7H2,1H3 ChemAxon inchikey OEIFXOHVCYVTGK-UHFFFAOYSA-N ChemAxon polar_surface_area 85.97 ChemAxon refractivity 85.21 ChemAxon polarizability 35.2 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11778 Specdb::CMs 45033 Specdb::CMs 175136 Specdb::MsMs 50820 Specdb::MsMs 50821 Specdb::MsMs 50822 Specdb::MsMs 166575 Specdb::MsMs 166576 Specdb::MsMs 166577 Specdb::MsMs 2395824 Specdb::MsMs 2395825 Specdb::MsMs 2395826 Specdb::MsMs 2539457 Specdb::MsMs 2539458 Specdb::MsMs 2539459 HMDB36779 #<Reference:0x000055ce330487b8> Root vegetables Unknown generic