1.0 2010-04-08 22:05:49 UTC 2025-11-18 22:52:41 UTC FDB003475 23-Acetoxysoladulcidine Alkaloid from the roots of a Lycopersicon esculentum-Lycopersicon hirsutum hybrid. 23-Acetoxysoladulcidine is found in garden tomato. 23-Acetoxysoladulcidine C29H47NO4 473.6878 473.350508997 16-hydroxy-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidine]-3'-yl acetate 16-hydroxy-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidine]-3'-yl acetate 152128-85-3 CC1C2C(CC3C4CCC5CC(O)CCC5(C)C4CCC23C)OC11NCC(C)CC1OC(C)=O InChI=1S/C29H47NO4/c1-16-12-25(33-18(3)31)29(30-15-16)17(2)26-24(34-29)14-23-21-7-6-19-13-20(32)8-10-27(19,4)22(21)9-11-28(23,26)5/h16-17,19-26,30,32H,6-15H2,1-5H3 HQJSCXYJQVACQR-UHFFFAOYSA-N belongs to the class of organic compounds known as spirosolanes and derivatives. These are steroidal alkaloids with a structure containing a spirosolane skeleton. Siporosolane is a polycyclic compound that is characterized by a 1-oxa-6-azaspiro[4.5]decane moiety where the oxolane ring is fused to a docosahydronaphth[2,1:4',5']indene ring system. Spirosolane arises from the conversion of a cholestane side-chain into a bicyclic system containing a piperidine and a tetrahydrofuran ring. Spirosolanes and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal alkaloids Aliphatic heteropolycyclic compounds 3-hydroxysteroids Alkaloids and derivatives Amino acids and derivatives Azacyclic compounds Azaspirodecane derivatives Azasteroids and derivatives Carbonyl compounds Carboxylic acid esters Cyclic alcohols and derivatives Dialkylamines Hemiaminals Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Oxacyclic compounds Piperidines Secondary alcohols Tetrahydrofurans 3-hydroxysteroid Alcohol Aliphatic heteropolycyclic compound Alkaloid or derivatives Amine Amino acid or derivatives Azacycle Azaspirodecane Azasteroid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Hemiaminal Hydrocarbon derivative Hydroxysteroid Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Piperidine Secondary alcohol Secondary aliphatic amine Secondary amine Spirosolane skeleton Tetrahydrofuran logp 4.30 ALOGPS logs -5.58 ALOGPS solubility 1.23e-03 g/l ALOGPS logp 4.61 ChemAxon pka_strongest_acidic 18.3 ChemAxon pka_strongest_basic 8.54 ChemAxon iupac 16-hydroxy-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidine]-3'-yl acetate ChemAxon average_mass 473.6878 ChemAxon mono_mass 473.350508997 ChemAxon smiles CC1C2C(CC3C4CCC5CC(O)CCC5(C)C4CCC23C)OC11NCC(C)CC1OC(C)=O ChemAxon formula C29H47NO4 ChemAxon inchi InChI=1S/C29H47NO4/c1-16-12-25(33-18(3)31)29(30-15-16)17(2)26-24(34-29)14-23-21-7-6-19-13-20(32)8-10-27(19,4)22(21)9-11-28(23,26)5/h16-17,19-26,30,32H,6-15H2,1-5H3 ChemAxon inchikey HQJSCXYJQVACQR-UHFFFAOYSA-N ChemAxon polar_surface_area 67.79 ChemAxon refractivity 131.5 ChemAxon polarizability 55.9 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11485 Specdb::CMs 42473 Specdb::CMs 137043 Specdb::CMs 144777 Specdb::MsMs 76119 Specdb::MsMs 76120 Specdb::MsMs 76121 Specdb::MsMs 135879 Specdb::MsMs 135880 Specdb::MsMs 135881 Specdb::MsMs 2716153 Specdb::MsMs 2716154 Specdb::MsMs 2716155 Specdb::MsMs 2962320 Specdb::MsMs 2962321 Specdb::MsMs 2962322 HMDB0031402 Garden tomato Type 1 specific Solanum lycopersicum 4081