1.0 2010-04-08 22:11:46 UTC 2019-11-26 03:11:26 UTC FDB015316 (3beta,4alpha,5alpha,14alpha,24xi)-4,14,24-Trimethylcholest-9(11)-en-3-ol Constituent of Lycopersicon esculentum (tomato) seeds. (3beta,4alpha,5alpha,14alpha,24xi)-4,14,24-Trimethylcholest-9(11)-en-3-ol is found in garden tomato. C30H52O 428.7333 428.401816286 14-(5,6-dimethylheptan-2-yl)-2,6,11,15-tetramethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(17)-en-5-ol 14-(5,6-dimethylheptan-2-yl)-2,6,11,15-tetramethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(17)-en-5-ol 68520-27-4 CC(C)C(C)CCC(C)C1CCC2(C)C3CCC4C(C)C(O)CCC4(C)C3=CCC12C InChI=1S/C30H52O/c1-19(2)20(3)9-10-21(4)23-13-17-30(8)26-12-11-24-22(5)27(31)15-16-28(24,6)25(26)14-18-29(23,30)7/h14,19-24,26-27,31H,9-13,15-18H2,1-8H3 NWPXYRKVJLBSQU-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 7.60 ALOGPS logs -7.19 ALOGPS solubility 2.76e-05 g/l ALOGPS logp 8.06 ChemAxon pka_strongest_acidic 18.96 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac 14-(5,6-dimethylheptan-2-yl)-2,6,11,15-tetramethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(17)-en-5-ol ChemAxon average_mass 428.7333 ChemAxon mono_mass 428.401816286 ChemAxon smiles CC(C)C(C)CCC(C)C1CCC2(C)C3CCC4C(C)C(O)CCC4(C)C3=CCC12C ChemAxon formula C30H52O ChemAxon inchi InChI=1S/C30H52O/c1-19(2)20(3)9-10-21(4)23-13-17-30(8)26-12-11-24-22(5)27(31)15-16-28(24,6)25(26)14-18-29(23,30)7/h14,19-24,26-27,31H,9-13,15-18H2,1-8H3 ChemAxon inchikey NWPXYRKVJLBSQU-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 134.11 ChemAxon polarizability 55.42 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18762 Specdb::CMs 44867 Specdb::CMs 131666 Specdb::CMs 139400 Specdb::MsMs 67980 Specdb::MsMs 67981 Specdb::MsMs 67982 Specdb::MsMs 125913 Specdb::MsMs 125914 Specdb::MsMs 125915 Specdb::MsMs 2768057 Specdb::MsMs 2768058 Specdb::MsMs 2768059 Specdb::MsMs 2911436 Specdb::MsMs 2911437 Specdb::MsMs 2911438 HMDB36429 #<Reference:0x000055ce319c0270> Garden tomato Type 1 specific Solanum lycopersicum 4081