1.0 2010-04-08 22:09:45 UTC 2019-11-26 03:05:11 UTC FDB011650 3-Epidemissidine Alkaloid from Solanum tuberosum (potato). 3-Epidemissidine is found in alcoholic beverages, root vegetables, and potato. 3-Epidemissidine 3beta-Allosolanidan-3-ol C27H45NO 399.6523 399.350115067 10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracosan-7-ol 10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracosan-7-ol 78513-80-1 CC1C2CCC(C)CN2C2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C12 InChI=1S/C27H45NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-25,29H,5-15H2,1-4H3 JALVTHFTYRPDMB-UHFFFAOYSA-N belongs to the class of organic compounds known as solanidines and derivatives. These are steroids with a structure based on the solanidane skeleton. Solanidane arises from the conversion of a cholestane side-chain into a bicyclic system. Solanidines and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal alkaloids Aliphatic heteropolycyclic compounds 3-hydroxysteroids Alkaloids and derivatives Azacyclic compounds Azasteroids and derivatives Cyclic alcohols and derivatives Hydrocarbon derivatives Indolizidines N-alkylpyrrolidines Organopnictogen compounds Piperidines Secondary alcohols Trialkylamines 3-hydroxysteroid Alcohol Aliphatic heteropolycyclic compound Alkaloid or derivatives Amine Azacycle Azasteroid Cyclic alcohol Hydrocarbon derivative Hydroxysteroid Indolizidine N-alkylpyrrolidine Organic nitrogen compound Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Piperidine Pyrrolidine Secondary alcohol Solanidane skeleton Tertiary aliphatic amine Tertiary amine logp 5.02 ALOGPS logs -6.26 ALOGPS solubility 2.21e-04 g/l ALOGPS melting_point Mp 215-217° (210-211°) logp 5.29 ChemAxon pka_strongest_acidic 18.3 ChemAxon pka_strongest_basic 12.44 ChemAxon iupac 10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracosan-7-ol ChemAxon average_mass 399.6523 ChemAxon mono_mass 399.350115067 ChemAxon smiles CC1C2CCC(C)CN2C2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C12 ChemAxon formula C27H45NO ChemAxon inchi InChI=1S/C27H45NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-25,29H,5-15H2,1-4H3 ChemAxon inchikey JALVTHFTYRPDMB-UHFFFAOYSA-N ChemAxon polar_surface_area 23.47 ChemAxon refractivity 120.01 ChemAxon polarizability 50.57 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25272 Specdb::CMs 42719 Specdb::CMs 135443 Specdb::CMs 143177 Specdb::MsMs 96510 Specdb::MsMs 96511 Specdb::MsMs 96512 Specdb::MsMs 160998 Specdb::MsMs 160999 Specdb::MsMs 161000 Specdb::MsMs 444914 Specdb::MsMs 444915 Specdb::MsMs 444916 Specdb::MsMs 444917 Specdb::MsMs 444918 Specdb::MsMs 2233581 Specdb::MsMs 2282890 Specdb::MsMs 2282891 Specdb::MsMs 2282892 Specdb::MsMs 3085357 Specdb::MsMs 3085358 Specdb::MsMs 3085359 HMDB32023 #<Reference:0x00007f093c0f0a18> Alcoholic beverages Unknown generic Potato Type 1 specific Solanum tuberosum 4113 Root vegetables Unknown generic