1.0 2010-04-08 22:07:28 UTC 2025-11-18 23:04:06 UTC FDB007142 Solasodiene Solasodiene belongs to spirosolanes and derivatives class of compounds. Those 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. Solasodiene is practically insoluble (in water) and a very strong basic compound (based on its pKa). Solasodiene can be found in potato, which makes solasodiene a potential biomarker for the consumption of this food product. 3,5-Solasodien, 3-dehydroxy- 3,5-Solasodiene 3,5-Solasodine, 3-dehydroxy- Solasodiene, 3-dehydroxy- Spirosola-3,5-diene C27H41NO 395.6205 395.318814939 5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidine]-16,18-diene 5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidine]-16,18-diene CC1C2C(CC3C4CC=C5C=CCCC5(C)C4CCC23C)OC11CCC(C)CN1 InChI=1S/C27H41NO/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h5,7-8,17-18,20-24,28H,6,9-16H2,1-4H3 OYNIUJOJEWHJPN-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 Alkaloids and derivatives Azacyclic compounds Azaspirodecane derivatives Azasteroids and derivatives Dialkylamines Hemiaminals Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds Oxacyclic compounds Piperidines Tetrahydrofurans Aliphatic heteropolycyclic compound Alkaloid or derivatives Amine Azacycle Azaspirodecane Azasteroid Hemiaminal Hydrocarbon derivative Organic nitrogen compound Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Piperidine Secondary aliphatic amine Secondary amine Spirosolane skeleton Tetrahydrofuran logp 5.45 ALOGPS logs -7.22 ALOGPS solubility 2.38e-05 g/l ALOGPS logp 5.63 ChemAxon pka_strongest_basic 9.54 ChemAxon iupac 5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidine]-16,18-diene ChemAxon average_mass 395.6205 ChemAxon mono_mass 395.318814939 ChemAxon smiles CC1C2C(CC3C4CC=C5C=CCCC5(C)C4CCC23C)OC11CCC(C)CN1 ChemAxon formula C27H41NO ChemAxon inchi InChI=1S/C27H41NO/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h5,7-8,17-18,20-24,28H,6,9-16H2,1-4H3 ChemAxon inchikey OYNIUJOJEWHJPN-UHFFFAOYSA-N ChemAxon polar_surface_area 21.26 ChemAxon refractivity 121.39 ChemAxon polarizability 48.57 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 110271 Specdb::MsMs 110272 Specdb::MsMs 110273 Specdb::MsMs 177903 Specdb::MsMs 177904 Specdb::MsMs 177905 Specdb::MsMs 3603713 Specdb::MsMs 3603714 Specdb::MsMs 3603715 Specdb::MsMs 3603716 Specdb::MsMs 3603717 Specdb::MsMs 3603718 Potato Type 1 specific Solanum tuberosum 4113