1.0 2010-04-08 22:09:46 UTC 2025-11-18 23:30:13 UTC FDB011681 (3xi,4alpha,5alpha,14alpha)-4,14-Dimethylergosta-8,24-dien-3-ol Constituent of rapeseed (Brassica napus). (3xi,4alpha,5alpha,14alpha)-4,14-Dimethylergosta-8,24-dien-3-ol is found in brassicas. C30H50O 426.7174 426.386166222 14-(5,6-dimethylhept-5-en-2-yl)-2,6,11,15-tetramethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-5-ol 14-(5,6-dimethylhept-5-en-2-yl)-2,6,11,15-tetramethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-5-ol 64543-34-6 CC(CCC(C)=C(C)C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)C1CC3 InChI=1S/C30H50O/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/h21-24,27,31H,9-18H2,1-8H3 GCZFZGBLBXBCJP-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 6.85 ALOGPS logs -5.75 ALOGPS solubility 7.54e-04 g/l ALOGPS logp 7.57 ChemAxon pka_strongest_acidic 18.96 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac 14-(5,6-dimethylhept-5-en-2-yl)-2,6,11,15-tetramethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-5-ol ChemAxon average_mass 426.7174 ChemAxon mono_mass 426.386166222 ChemAxon smiles CC(CCC(C)=C(C)C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)C1CC3 ChemAxon formula C30H50O ChemAxon inchi InChI=1S/C30H50O/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/h21-24,27,31H,9-18H2,1-8H3 ChemAxon inchikey GCZFZGBLBXBCJP-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 134.43 ChemAxon polarizability 54.81 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11497 Specdb::CMs 43374 Specdb::CMs 134511 Specdb::CMs 142245 Specdb::MsMs 49638 Specdb::MsMs 49639 Specdb::MsMs 49640 Specdb::MsMs 166101 Specdb::MsMs 166102 Specdb::MsMs 166103 Specdb::MsMs 2706380 Specdb::MsMs 2706381 Specdb::MsMs 2706382 Specdb::MsMs 2999341 Specdb::MsMs 2999342 Specdb::MsMs 2999343 HMDB33596 #<Reference:0x000055ce30749ba0> Brassicas Unknown generic 3705