1.0 2010-04-08 22:10:12 UTC 2019-11-26 03:06:53 UTC FDB012482 Taccagenin Constituent of Tacca leontopetaloides (Polynesian arrowroot). Taccagenin is found in root vegetables. 22,25-Epoxyfurost-5-ene-3b,26,27-triol C27H42O5 446.6194 446.303224454 5,5-bis(hydroxymethyl)-7',9',13'-trimethyl-5'-oxaspiro[oxolane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-16'-ol 5,5-bis(hydroxymethyl)-7',9',13'-trimethyl-5'-oxaspiro[oxolane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-16'-ol 79-01-6 CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC23C)OC11CCC(CO)(CO)O1 InChI=1S/C27H42O5/c1-16-23-22(31-27(16)11-10-26(14-28,15-29)32-27)13-21-19-5-4-17-12-18(30)6-8-24(17,2)20(19)7-9-25(21,23)3/h4,16,18-23,28-30H,5-15H2,1-3H3 ALWIMEGFKSOEQI-UHFFFAOYSA-N belongs to the class of organic compounds known as furospirostanes and derivatives. These are heterocyclic steroids containing a furospirostane moiety, which a skeleton characterized by the presence of a 1,6-dioxaspiro[4.4]nonane ring system and an androstane moiety. Furospirostanes and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Furospirostanes and derivatives Aliphatic heteropolycyclic compounds 3-hydroxy delta-5-steroids Cyclic alcohols and derivatives Delta-5-steroids Hydrocarbon derivatives Ketals Oxacyclic compounds Primary alcohols Secondary alcohols Spirostanes and derivatives Tetrahydrofurans Triterpenoids 3-hydroxy-delta-5-steroid 3-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Cyclic alcohol Delta-5-steroid Furospirostane-skeleton Hydrocarbon derivative Hydroxysteroid Ketal Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Primary alcohol Secondary alcohol Spirostane skeleton Tetrahydrofuran Triterpenoid logp 2.29 ALOGPS logs -4.71 ALOGPS solubility 8.79e-03 g/l ALOGPS melting_point Mp 246-248° logp 2.72 ChemAxon pka_strongest_acidic 13.99 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac 5,5-bis(hydroxymethyl)-7',9',13'-trimethyl-5'-oxaspiro[oxolane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-16'-ol ChemAxon average_mass 446.6194 ChemAxon mono_mass 446.303224454 ChemAxon smiles CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC23C)OC11CCC(CO)(CO)O1 ChemAxon formula C27H42O5 ChemAxon inchi InChI=1S/C27H42O5/c1-16-23-22(31-27(16)11-10-26(14-28,15-29)32-27)13-21-19-5-4-17-12-18(30)6-8-24(17,2)20(19)7-9-25(21,23)3/h4,16,18-23,28-30H,5-15H2,1-3H3 ChemAxon inchikey ALWIMEGFKSOEQI-UHFFFAOYSA-N ChemAxon polar_surface_area 79.15 ChemAxon refractivity 123.34 ChemAxon polarizability 52.56 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13422 Specdb::CMs 43754 Specdb::CMs 164967 Specdb::MsMs 11813 Specdb::MsMs 11814 Specdb::MsMs 11815 Specdb::MsMs 18485 Specdb::MsMs 18486 Specdb::MsMs 18487 Specdb::MsMs 3055397 Specdb::MsMs 3055398 Specdb::MsMs 3055399 Specdb::MsMs 3111545 Specdb::MsMs 3111546 Specdb::MsMs 3111547 HMDB34189 #<Reference:0x000055ce31a39418> Root vegetables Unknown generic