1.0 2010-04-08 22:12:48 UTC 2019-11-26 03:14:07 UTC FDB017045 (3beta,5alpha,24R)-Ergost-8(14)-en-3-ol Constituent of Dioscorea batatas (Chinese yam). (3beta,5alpha,24R)-Ergost-8(14)-en-3-ol is found in root vegetables. 5alpha-Ergost-8(14)-en-3beta-ol alpha-Ergostenol C28H48O 400.6801 400.370516158 14-(5,6-dimethylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-10-en-5-ol α-ergostenol 632-32-6 CC(C)C(C)CCC(C)C1CCC2=C3CCC4CC(O)CCC4(C)C3CCC12C InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-22,24,26,29H,7-17H2,1-6H3 AWYDNKRGSOPYQB-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-hydroxysteroids Cyclic alcohols and derivatives Hydrocarbon derivatives Secondary alcohols 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Ergosterol-skeleton Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol logp 6.68 ALOGPS logs -6.34 ALOGPS solubility 1.83e-04 g/l ALOGPS logp 7.36 ChemAxon pka_strongest_acidic 18.3 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac 14-(5,6-dimethylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-10-en-5-ol ChemAxon average_mass 400.6801 ChemAxon mono_mass 400.370516158 ChemAxon smiles CC(C)C(C)CCC(C)C1CCC2=C3CCC4CC(O)CCC4(C)C3CCC12C ChemAxon formula C28H48O ChemAxon inchi InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-22,24,26,29H,7-17H2,1-6H3 ChemAxon inchikey AWYDNKRGSOPYQB-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 124.9 ChemAxon polarizability 50.87 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24751 Specdb::CMs 41763 Specdb::CMs 160933 Specdb::MsMs 10769 Specdb::MsMs 10770 Specdb::MsMs 10771 Specdb::MsMs 17441 Specdb::MsMs 17442 Specdb::MsMs 17443 Specdb::MsMs 2671875 Specdb::MsMs 2671876 Specdb::MsMs 2671877 Specdb::MsMs 3009900 Specdb::MsMs 3009901 Specdb::MsMs 3009902 HMDB30123 #<Reference:0x000055ce316fb3f0> Root vegetables Unknown generic