1.02010-04-08 22:10:18 UTC2019-11-26 03:07:24 UTCFDB0126884alpha-MethylfecosterolMinor constituent of yeast and constituent of wheat germ oil (Triticum aestivum)
4alpha-Methylfecosterol is involved in the biosynthesis of steroids. 4alpha-Methylfecosterol is converted from delta8,14 -Sterol by delta14-sterol reductase [EC:1.3.1.70]. 4alpha-Methylfecosterol is converted to 24-Methylene lophenol by cholestenol delta-isomerase [EC:5.3.3.5]. 4alpha-Methylfecosterol is found in wheat and cereals and cereal products.(3beta,4alpha,5alpha)-4-Methylergosta-8,24(28)-dien-3-ol4a-Methylfecosterol4alpha-Methyl-5alpha-ergosta-8,24(28)-dien-3beta-ol4alpha-MethylfecosterolC29H48O412.6908412.370516158(2S,5S,6S,7S,11R,14R,15R)-2,6,15-trimethyl-14-[(2R)-6-methyl-5-methylideneheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-5-ol(2S,5S,6S,7S,11R,14R,15R)-2,6,15-trimethyl-14-[(2R)-6-methyl-5-methylideneheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-5-ol17757-07-2CC(C)C(=C)CCC(C)C1CCC2C3=C(CCC12C)C1(C)CCC(O)C(C)C1CC3InChI=1S/C29H48O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h18,20-21,23-25,27,30H,3,8-17H2,1-2,4-7H3QLDNWJOJCDIMKK-UHFFFAOYSA-N belongs to the class of organic compounds known as ergosterols and derivatives. These are steroids containing ergosta-5,7,22-trien-3beta-ol or a derivative thereof, which is based on the 3beta-hydroxylated ergostane skeleton.Ergosterols and derivativesOrganic compoundsLipids and lipid-like moleculesSteroids and steroid derivativesErgostane steroidsAliphatic homopolycyclic compounds3-beta-hydroxysteroidsCyclic alcohols and derivativesHydrocarbon derivativesSecondary alcohols3-beta-hydroxysteroid3-hydroxysteroidAlcoholAliphatic homopolycyclic compoundCyclic alcoholErgosterol-skeletonHydrocarbon derivativeHydroxysteroidOrganic oxygen compoundOrganooxygen compoundSecondary alcoholErgosterols and C24-methyl derivativesErgosterols and C24-methyl derivativesergostanoidSolidlogp6.64logs-5.78solubility6.90e-04 g/lmelting_pointMp 143-145°logp7.37pka_strongest_acidic18.96pka_strongest_basic-1.1iupac(2S,5S,6S,7S,11R,14R,15R)-2,6,15-trimethyl-14-[(2R)-6-methyl-5-methylideneheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-5-olaverage_mass412.6908mono_mass412.370516158smilesCC(C)C(=C)CCC(C)C1CCC2C3=C(CCC12C)C1(C)CCC(O)C(C)C1CC3formulaC29H48OinchiInChI=1S/C29H48O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h18,20-21,23-25,27,30H,3,8-17H2,1-2,4-7H3inchikeyQLDNWJOJCDIMKK-UHFFFAOYSA-Npolar_surface_area20.23refractivity129.15polarizability53.45rotatable_bond_count5acceptor_count1donor_count1physiological_charge0formal_charge0Specdb::CMs23336Specdb::CMs39115Specdb::CMs150183Specdb::MsMs317755Specdb::MsMs317756Specdb::MsMs317757Specdb::MsMs364321Specdb::MsMs364322Specdb::MsMs364323Specdb::MsMs2440837Specdb::MsMs2440838Specdb::MsMs2440839Specdb::MsMs2525658Specdb::MsMs2525659Specdb::MsMs2525660HMDB06845Breakfast cerealType 2specificCereals and cereal productsUnknowngenericWheatType 1specificTriticum4564Delta(14)-sterol reductaseO76062TM7SF2