1.0 2010-04-08 22:09:45 UTC 2019-11-26 03:05:12 UTC FDB011659 Leontogenin Constituent of Tacca leontopetaloides (Polynesian arrowroot). Leontogenin is found in root vegetables. 6b-Formyl-B-nor-5b,25R-spirostane-3b,25-diol C27H42O5 446.6194 446.303224454 16',18'-dihydroxy-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.7.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]nonadecane]-19'-carbaldehyde 16',18'-dihydroxy-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.7.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]nonadecane]-19'-carbaldehyde CC1C2C(CC3C4C(CCC23C)C2(C)CCC(O)CC2(O)C4C=O)OC11CCC(C)CO1 InChI=1S/C27H42O5/c1-15-5-10-27(31-14-15)16(2)23-21(32-27)11-19-22-18(7-8-24(19,23)3)25(4)9-6-17(29)12-26(25,30)20(22)13-28/h13,15-23,29-30H,5-12,14H2,1-4H3 GKGKOBNJESCNOE-UHFFFAOYSA-N belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals. Ketals Organic compounds Organic oxygen compounds Organooxygen compounds Ethers Aliphatic heteropolycyclic compounds Aldehydes Cyclic alcohols and derivatives Hydrocarbon derivatives Organic oxides Oxacyclic compounds Oxanes Secondary alcohols Tertiary alcohols Tetrahydrofurans Alcohol Aldehyde Aliphatic heteropolycyclic compound Carbonyl group Cyclic alcohol Hydrocarbon derivative Ketal Organic oxide Organoheterocyclic compound Oxacycle Oxane Secondary alcohol Tertiary alcohol Tetrahydrofuran logp 2.50 ALOGPS logs -5.11 ALOGPS solubility 3.49e-03 g/l ALOGPS logp 2.88 ChemAxon pka_strongest_acidic 13.47 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 16',18'-dihydroxy-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.7.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]nonadecane]-19'-carbaldehyde ChemAxon average_mass 446.6194 ChemAxon mono_mass 446.303224454 ChemAxon smiles CC1C2C(CC3C4C(CCC23C)C2(C)CCC(O)CC2(O)C4C=O)OC11CCC(C)CO1 ChemAxon formula C27H42O5 ChemAxon inchi InChI=1S/C27H42O5/c1-15-5-10-27(31-14-15)16(2)23-21(32-27)11-19-22-18(7-8-24(19,23)3)25(4)9-6-17(29)12-26(25,30)20(22)13-28/h13,15-23,29-30H,5-12,14H2,1-4H3 ChemAxon inchikey GKGKOBNJESCNOE-UHFFFAOYSA-N ChemAxon polar_surface_area 75.99 ChemAxon refractivity 121.46 ChemAxon polarizability 51.42 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15223 Specdb::CMs 43366 Specdb::CMs 165444 Specdb::MsMs 11318 Specdb::MsMs 11319 Specdb::MsMs 11320 Specdb::MsMs 17990 Specdb::MsMs 17991 Specdb::MsMs 17992 Specdb::MsMs 2342025 Specdb::MsMs 2342026 Specdb::MsMs 2342027 Specdb::MsMs 2593297 Specdb::MsMs 2593298 Specdb::MsMs 2593299 HMDB33583 #<Reference:0x000055ce3187e538> Root vegetables Unknown generic