1.02010-04-08 22:04:34 UTC2019-11-26 02:54:48 UTCFDB000440alpha-SolanigrineAlkaloid from Solanum melanocerasum (garden huckleberry). alpha-Solanigrine is found in fruits.a-SolanigrineC27H43NO2413.6358413.3293796255',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-en-16-olsolassodine126-17-0CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC23C)OC11CCC(C)CN1InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3KWVISVAMQJWJSZ-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 derivativesOrganic compoundsLipids and lipid-like moleculesSteroids and steroid derivativesSteroidal alkaloidsAliphatic heteropolycyclic compounds3-hydroxy delta-5-steroidsAlkaloids and derivativesAzacyclic compoundsAzaspirodecane derivativesAzasteroids and derivativesCyclic alcohols and derivativesDelta-5-steroidsDialkylaminesHemiaminalsHydrocarbon derivativesOrganopnictogen compoundsOxacyclic compoundsPiperidinesSecondary alcoholsTetrahydrofurans3-hydroxy-delta-5-steroid3-hydroxysteroidAlcoholAliphatic heteropolycyclic compoundAlkaloid or derivativesAmineAzacycleAzaspirodecaneAzasteroidCyclic alcoholDelta-5-steroidHemiaminalHydrocarbon derivativeHydroxysteroidOrganic nitrogen compoundOrganic oxygen compoundOrganoheterocyclic compoundOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundOxacyclePiperidineSecondary alcoholSecondary aliphatic amineSecondary amineSpirosolane skeletonTetrahydrofuranlogp4.45logs-5.69solubility8.38e-04 g/llogp4.61pka_strongest_acidic18.2pka_strongest_basic9.54iupac5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-en-16-olaverage_mass413.6358mono_mass413.329379625smilesCC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC23C)OC11CCC(C)CN1formulaC27H43NO2inchiInChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3inchikeyKWVISVAMQJWJSZ-UHFFFAOYSA-Npolar_surface_area41.49refractivity121.95polarizability50.31rotatable_bond_count0acceptor_count3donor_count2physiological_charge1formal_charge0Specdb::CMs14820Specdb::CMs44299Specdb::CMs135380Specdb::CMs143114Specdb::MsMs8093Specdb::MsMs8094Specdb::MsMs8095Specdb::MsMs14765Specdb::MsMs14766Specdb::MsMs14767Specdb::MsMs20357Specdb::MsMs20358Specdb::MsMs20359Specdb::MsMs21908Specdb::MsMs21909Specdb::MsMs21910Specdb::MsMs449518Specdb::MsMs449519Specdb::MsMs449520Specdb::MsMs2327172Specdb::MsMs2327173Specdb::MsMs2327174Specdb::MsMs2612248Specdb::MsMs2612249Specdb::MsMs2612250FruitsUnknowngeneric