1.0 2016-09-30 22:42:56 UTC 2020-04-22 15:07:15 UTC BMDB0001242 BMDB01242 Obtusifoliol 4,4-Dimethyl-14a-hydroxymethyl-5a-cholesta-8,24-dien-3b-ol 4,4-Dimethyl-14alpha-hydroxymethyl-5alpha-cholesta-8,24-dien-3beta-ol C30H50O2 442.7168 442.381080844 11-(hydroxymethyl)-2,6,6,15-tetramethyl-14-(6-methylhept-5-en-2-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-5-ol 11-(hydroxymethyl)-2,6,6,15-tetramethyl-14-(6-methylhept-5-en-2-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-5-ol CC(CCC=C(C)C)C1CCC2(CO)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3 InChI=1S/C30H50O2/c1-20(2)9-8-10-21(3)22-14-18-30(19-31)24-11-12-25-27(4,5)26(32)15-16-28(25,6)23(24)13-17-29(22,30)7/h9,21-22,25-26,31-32H,8,10-19H2,1-7H3 DWVYYKFZEDMMPU-UHFFFAOYSA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Organic compounds Lipids and lipid-like molecules Prenol lipids Triterpenoids Triterpenoids 3-hydroxysteroids Cyclic alcohols and derivatives Hydrocarbon derivatives Primary alcohols Secondary alcohols 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Primary alcohol Secondary alcohol Steroid Triterpenoid Aliphatic homopolycyclic compounds a 3-β-hydroxysterol Solid logp 6.54 ALOGPS logs -5.38 ALOGPS logp 6.43 ChemAxon pka_strongest_acidic 19.43 ChemAxon pka_strongest_basic -0.53 ChemAxon iupac 11-(hydroxymethyl)-2,6,6,15-tetramethyl-14-(6-methylhept-5-en-2-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-5-ol ChemAxon average_mass 442.7168 ChemAxon mono_mass 442.381080844 ChemAxon smiles CC(CCC=C(C)C)C1CCC2(CO)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3 ChemAxon formula C30H50O2 ChemAxon inchi InChI=1S/C30H50O2/c1-20(2)9-8-10-21(3)22-14-18-30(19-31)24-11-12-25-27(4,5)26(32)15-16-28(25,6)23(24)13-17-29(22,30)7/h9,21-22,25-26,31-32H,8,10-19H2,1-7H3 ChemAxon inchikey DWVYYKFZEDMMPU-UHFFFAOYSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 136.32 ChemAxon polarizability 55.97 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 4 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 23097 Specdb::CMs 37990 Specdb::CMs 102651 Specdb::MsMs 178197 Specdb::MsMs 178198 Specdb::MsMs 178199 Specdb::MsMs 180513 Specdb::MsMs 180514 Specdb::MsMs 180515 Specdb::MsMs 3607831 Specdb::MsMs 3607832 Specdb::MsMs 3607833 Specdb::MsMs 3607834 Specdb::MsMs 3607835 Specdb::MsMs 3607836 Specdb::NmrOneD 295255 Specdb::NmrOneD 295256 Specdb::NmrOneD 295257 Specdb::NmrOneD 295258 Specdb::NmrOneD 295259 Specdb::NmrOneD 295260 Specdb::NmrOneD 295261 Specdb::NmrOneD 295262 Specdb::NmrOneD 295263 Specdb::NmrOneD 295264 Specdb::NmrOneD 295265 Specdb::NmrOneD 295266 Specdb::NmrOneD 295267 Specdb::NmrOneD 295268 Specdb::NmrOneD 295269 Specdb::NmrOneD 295270 Specdb::NmrOneD 295271 Specdb::NmrOneD 295272 Specdb::NmrOneD 295273 Specdb::NmrOneD 295274 FDB030262 570838 656449 C00007317 BMDBP00014 Lanosterol 14-alpha demethylase Q4PJW3 CYP51A1 Enzyme