1.0 2010-04-08 22:10:18 UTC 2019-11-26 03:07:24 UTC FDB012688 4alpha-Methylfecosterol Minor 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-ol 4a-Methylfecosterol 4alpha-Methyl-5alpha-ergosta-8,24(28)-dien-3beta-ol 4alpha-Methylfecosterol C29H48O 412.6908 412.370516158 (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-ol 17757-07-2 CC(C)C(=C)CCC(C)C1CCC2C3=C(CCC12C)C1(C)CCC(O)C(C)C1CC3 InChI=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,3,8-17H2,1-2,4-7H3 QLDNWJOJCDIMKK-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 derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Ergostane steroids Aliphatic homopolycyclic compounds 3-beta-hydroxysteroids Cyclic alcohols and derivatives Hydrocarbon derivatives Secondary alcohols 3-beta-hydroxysteroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Ergosterol-skeleton Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol Ergosterols and C24-methyl derivatives Ergosterols and C24-methyl derivatives ergostanoid Solid logp 6.64 ALOGPS logs -5.78 ALOGPS solubility 6.90e-04 g/l ALOGPS melting_point Mp 143-145° logp 7.37 ChemAxon pka_strongest_acidic 18.96 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac (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 ChemAxon average_mass 412.6908 ChemAxon mono_mass 412.370516158 ChemAxon smiles CC(C)C(=C)CCC(C)C1CCC2C3=C(CCC12C)C1(C)CCC(O)C(C)C1CC3 ChemAxon formula C29H48O ChemAxon inchi InChI=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,3,8-17H2,1-2,4-7H3 ChemAxon inchikey QLDNWJOJCDIMKK-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 129.15 ChemAxon polarizability 53.45 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23336 Specdb::CMs 39115 Specdb::CMs 150183 Specdb::MsMs 317755 Specdb::MsMs 317756 Specdb::MsMs 317757 Specdb::MsMs 364321 Specdb::MsMs 364322 Specdb::MsMs 364323 Specdb::MsMs 2440837 Specdb::MsMs 2440838 Specdb::MsMs 2440839 Specdb::MsMs 2525658 Specdb::MsMs 2525659 Specdb::MsMs 2525660 HMDB06845 Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Wheat Type 1 specific Triticum 4564 Delta(14)-sterol reductase O76062 TM7SF2