1.0 2010-04-08 22:12:01 UTC 2019-11-26 03:12:06 UTC FDB015723 Diosbulbin H Isolated from Dioscorea bulbifera (air potato). Diosbulbin H is found in root vegetables. Diosbulbin H C23H30O7 418.4801 418.199153314 butyl 2-(furan-3-yl)-9-hydroxy-10b-methyl-4,6-dioxo-dodecahydro-1H-naphtho[2,1-c]pyran-7-carboxylate butyl 2-(furan-3-yl)-9-hydroxy-10b-methyl-4,6-dioxo-decahydronaphtho[2,1-c]pyran-7-carboxylate 67567-13-9 CCCCOC(=O)C1CC(O)CC2C1C(=O)CC1C(=O)OC(CC21C)C1=COC=C1 InChI=1S/C23H30O7/c1-3-4-6-29-21(26)15-8-14(24)9-16-20(15)18(25)10-17-22(27)30-19(11-23(16,17)2)13-5-7-28-12-13/h5,7,12,14-17,19-20,24H,3-4,6,8-11H2,1-2H3 KMLQBHMEPVHNNG-UHFFFAOYSA-N belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety. Diterpene lactones Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene lactones Aromatic heteropolycyclic compounds Carboxylic acid esters Colensane and clerodane diterpenoids Cyclic alcohols and derivatives Delta valerolactones Dicarboxylic acids and derivatives Furans Heteroaromatic compounds Hydrocarbon derivatives Ketones Naphthalenes Naphthopyrans Organic oxides Oxacyclic compounds Oxanes Pyrans Secondary alcohols Alcohol Aromatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Clerodane diterpenoid Cyclic alcohol Delta valerolactone Delta_valerolactone Dicarboxylic acid or derivatives Diterpene lactone Diterpenoid Furan Heteroaromatic compound Hydrocarbon derivative Ketone Lactone Naphthalene Naphthopyran Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Pyran Secondary alcohol logp 2.33 ALOGPS logs -3.53 ALOGPS solubility 1.23e-01 g/l ALOGPS melting_point Mp 176-178° logp 2.46 ChemAxon pka_strongest_acidic 15.21 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac butyl 2-(furan-3-yl)-9-hydroxy-10b-methyl-4,6-dioxo-dodecahydro-1H-naphtho[2,1-c]pyran-7-carboxylate ChemAxon average_mass 418.4801 ChemAxon mono_mass 418.199153314 ChemAxon smiles CCCCOC(=O)C1CC(O)CC2C1C(=O)CC1C(=O)OC(CC21C)C1=COC=C1 ChemAxon formula C23H30O7 ChemAxon inchi InChI=1S/C23H30O7/c1-3-4-6-29-21(26)15-8-14(24)9-16-20(15)18(25)10-17-22(27)30-19(11-23(16,17)2)13-5-7-28-12-13/h5,7,12,14-17,19-20,24H,3-4,6,8-11H2,1-2H3 ChemAxon inchikey KMLQBHMEPVHNNG-UHFFFAOYSA-N ChemAxon polar_surface_area 103.04 ChemAxon refractivity 106.42 ChemAxon polarizability 45.32 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22367 Specdb::CMs 45035 Specdb::CMs 134607 Specdb::CMs 142341 Specdb::MsMs 49611 Specdb::MsMs 49612 Specdb::MsMs 49613 Specdb::MsMs 118461 Specdb::MsMs 118462 Specdb::MsMs 118463 Specdb::MsMs 2400573 Specdb::MsMs 2400574 Specdb::MsMs 2400575 Specdb::MsMs 2537759 Specdb::MsMs 2537760 Specdb::MsMs 2537761 HMDB36781 #<Reference:0x000055ce326c9390> Root vegetables Unknown generic