1.0 2010-04-08 22:15:04 UTC 2019-11-26 03:19:02 UTC FDB020511 Tokinolide A Constituent of the roots of Angelica acutiloba (Dong Dang Gui). Tokinolide A is found in green vegetables. C24H28O4 380.4767 380.198759384 (6Z,16E)-6,16-dibutylidene-5,17-dioxapentacyclo[9.4.3.0¹,¹¹.0²,¹⁰.0³,⁷]octadeca-3(7),12-diene-4,18-dione (6Z,16E)-6,16-dibutylidene-5,17-dioxapentacyclo[9.4.3.0¹,¹¹.0²,¹⁰.0³,⁷]octadeca-3(7),12-diene-4,18-dione 112899-62-4 CCC\C=C1/OC(=O)C2=C1CCC1C2C23CCC=CC12C(=O)O\C3=C\CCC InChI=1S/C24H28O4/c1-3-5-9-17-15-11-12-16-20(19(15)21(25)27-17)24-14-8-7-13-23(16,24)22(26)28-18(24)10-6-4-2/h7,9-10,13,16,20H,3-6,8,11-12,14H2,1-2H3/b17-9-,18-10+ UHSPLLCHEOVMGH-BUOZRGFLSA-N belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon atom. Butenolides Organic compounds Organoheterocyclic compounds Dihydrofurans Furanones Aliphatic heteropolycyclic compounds Carbonyl compounds Dicarboxylic acids and derivatives Enoate esters Enol esters Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Oxepanes Tetrahydrofurans 2-furanone Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Caprolactone Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Enoate ester Enol ester Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Oxepane Tetrahydrofuran logp 5.61 ALOGPS logs -4.82 ALOGPS solubility 5.79e-03 g/l ALOGPS logp 4.52 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac (6Z,16E)-6,16-dibutylidene-5,17-dioxapentacyclo[9.4.3.0¹,¹¹.0²,¹⁰.0³,⁷]octadeca-3(7),12-diene-4,18-dione ChemAxon average_mass 380.4767 ChemAxon mono_mass 380.198759384 ChemAxon smiles CCC\C=C1/OC(=O)C2=C1CCC1C2C23CCC=CC12C(=O)O\C3=C\CCC ChemAxon formula C24H28O4 ChemAxon inchi InChI=1S/C24H28O4/c1-3-5-9-17-15-11-12-16-20(19(15)21(25)27-17)24-14-8-7-13-23(16,24)22(26)28-18(24)10-6-4-2/h7,9-10,13,16,20H,3-6,8,11-12,14H2,1-2H3/b17-9-,18-10+ ChemAxon inchikey UHSPLLCHEOVMGH-BUOZRGFLSA-N ChemAxon polar_surface_area 52.6 ChemAxon refractivity 110.42 ChemAxon polarizability 41.83 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13097 Specdb::CMs 173269 Specdb::MsMs 294778 Specdb::MsMs 294779 Specdb::MsMs 294780 Specdb::MsMs 335587 Specdb::MsMs 335588 Specdb::MsMs 335589 Specdb::MsMs 2731246 Specdb::MsMs 2731247 Specdb::MsMs 2731248 Specdb::MsMs 2977019 Specdb::MsMs 2977020 Specdb::MsMs 2977021 HMDB40707 #<Reference:0x000055ce322a5430> Green vegetables Unknown generic