1.0 2010-04-08 22:15:47 UTC 2019-11-26 03:20:34 UTC FDB021575 Setariol Constituent of the leaves of Setaria italica (foxtail millet). Setariol is found in cereals and cereal products. 9,19-Cyclocholesta-7,20-diene-3,14,26-triol C27H42O3 414.6206 414.31339521 15-(7-hydroxy-6-methylhept-1-en-2-yl)-16-methylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadec-10-ene-6,12-diol 15-(7-hydroxy-6-methylhept-1-en-2-yl)-16-methylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadec-10-ene-6,12-diol 142942-85-6 CC(CO)CCCC(=C)C1CCC2(O)C3=CCC4CC(O)CCC44CC34CCC12C InChI=1S/C27H42O3/c1-18(16-28)5-4-6-19(2)22-10-12-27(30)23-8-7-20-15-21(29)9-11-25(20)17-26(23,25)14-13-24(22,27)3/h8,18,20-22,28-30H,2,4-7,9-17H2,1,3H3 LHQZNTIWWWUEJH-UHFFFAOYSA-N belongs to the class of organic compounds known as 14-hydroxysteroids. These are steroids carrying a hydroxyl group at the 14-position of the steroid backbone. 14-hydroxysteroids Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids Aliphatic homopolycyclic compounds 3-hydroxysteroids Cyclic alcohols and derivatives Fatty alcohols Hydrocarbon derivatives Primary alcohols Secondary alcohols Tertiary alcohols 14-hydroxysteroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Fatty acyl Fatty alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Primary alcohol Secondary alcohol Tertiary alcohol logp 4.78 ALOGPS logs -4.56 ALOGPS solubility 1.15e-02 g/l ALOGPS melting_point Mp 270-271° logp 3.79 ChemAxon pka_strongest_acidic 17.42 ChemAxon pka_strongest_basic 0.007 ChemAxon iupac 15-(7-hydroxy-6-methylhept-1-en-2-yl)-16-methylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadec-10-ene-6,12-diol ChemAxon average_mass 414.6206 ChemAxon mono_mass 414.31339521 ChemAxon smiles CC(CO)CCCC(=C)C1CCC2(O)C3=CCC4CC(O)CCC44CC34CCC12C ChemAxon formula C27H42O3 ChemAxon inchi InChI=1S/C27H42O3/c1-18(16-28)5-4-6-19(2)22-10-12-27(30)23-8-7-20-15-21(29)9-11-25(20)17-26(23,25)14-13-24(22,27)3/h8,18,20-22,28-30H,2,4-7,9-17H2,1,3H3 ChemAxon inchikey LHQZNTIWWWUEJH-UHFFFAOYSA-N ChemAxon polar_surface_area 60.69 ChemAxon refractivity 121.69 ChemAxon polarizability 50.27 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15956 Specdb::CMs 47393 Specdb::CMs 148130 Specdb::MsMs 301330 Specdb::MsMs 301331 Specdb::MsMs 301332 Specdb::MsMs 343825 Specdb::MsMs 343826 Specdb::MsMs 343827 Specdb::MsMs 2786134 Specdb::MsMs 2786135 Specdb::MsMs 2786136 Specdb::MsMs 2922745 Specdb::MsMs 2922746 Specdb::MsMs 2922747 HMDB41583 #<Reference:0x00007f093c0ba940> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic