1.02010-04-08 22:04:55 UTC2019-11-26 02:56:18 UTCFDB001316IkshusterolConstituent of cane sugar (Saccharum officinarum) and pineapple leaves (Ananas comosus). Ikshusterol is found in many foods, some of which are barley, fruits, pineapple, and corn.(-)-Stigmast-5-ene-3beta,7alpha-diol7a-HydroxysitosterolHydroxysitosterolIkshusterolStigmast-5-ene-3,7-diol, (3beta,7alpha)-Stigmast-5-ene-3beta,7alpha-diolC29H50O2430.7061430.38108084414-(5-ethyl-6-methylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-ene-5,9-diol14-(5-ethyl-6-methylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-ene-5,9-diol34427-61-7CCC(CCC(C)C1CCC2C3C(O)C=C4CC(O)CCC4(C)C3CCC12C)C(C)CInChI=1S/C29H50O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-27,30-31H,7-16H2,1-6H3SXJVFYZNUGGHRG-UHFFFAOYSA-N belongs to the class of organic compounds known as stigmastanes and derivatives. These are sterol lipids with a structure based on the stigmastane skeleton, which consists of a cholestane moiety bearing an ethyl group at the carbon atom C24.Stigmastanes and derivativesOrganic compoundsLipids and lipid-like moleculesSteroids and steroid derivativesStigmastanes and derivativesAliphatic homopolycyclic compounds3-hydroxy delta-5-steroids7-hydroxysteroidsC24-propyl sterols and derivativesCyclic alcohols and derivativesDelta-5-steroidsHydrocarbon derivativesSecondary alcoholsTriterpenoids3-hydroxy-delta-5-steroid3-hydroxysteroid7-hydroxysteroidAlcoholAliphatic homopolycyclic compoundC24-propyl-sterol-skeletonCyclic alcoholDelta-5-steroidHydrocarbon derivativeHydroxysteroidOrganic oxygen compoundOrganooxygen compoundSecondary alcoholStigmastane-skeletonTriterpenoidlogp5.96logs-6.39solubility1.74e-04 g/lmelting_pointMp 129-133° (202-204°)logp6.69pka_strongest_acidic18.2pka_strongest_basic-0.83iupac14-(5-ethyl-6-methylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-ene-5,9-diolaverage_mass430.7061mono_mass430.381080844smilesCCC(CCC(C)C1CCC2C3C(O)C=C4CC(O)CCC4(C)C3CCC12C)C(C)CformulaC29H50O2inchiInChI=1S/C29H50O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-27,30-31H,7-16H2,1-6H3inchikeySXJVFYZNUGGHRG-UHFFFAOYSA-Npolar_surface_area40.46refractivity131.2polarizability54.52rotatable_bond_count6acceptor_count2donor_count2physiological_charge0formal_charge0Specdb::CMs26458Specdb::CMs41700Specdb::CMs116109Specdb::CMs150334Specdb::CMs911935Specdb::CMs911936Specdb::CMs911937Specdb::CMs911938Specdb::CMs911939Specdb::MsMs10631Specdb::MsMs10632Specdb::MsMs10633Specdb::MsMs12695Specdb::MsMs12696Specdb::MsMs12697Specdb::MsMs17303Specdb::MsMs17304Specdb::MsMs17305Specdb::MsMs19367Specdb::MsMs19368Specdb::MsMs19369Specdb::MsMs2276295Specdb::MsMs2276296Specdb::MsMs2276297Specdb::MsMs3092275Specdb::MsMs3092276Specdb::MsMs3092277BarleyType 1specificHordeum vulgare4513CornType 1specificZea mays4577FruitsUnknowngenericPineappleType 1specificAnanas comosus4615anti fertility276