1.0 2016-10-03 18:33:35 UTC 2020-04-22 15:48:51 UTC BMDB0012171 BMDB12171 4alpha-hydroxymethyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol 4a-Hydroxymethyl-4b-methyl-5a-cholesta-8-en-3b-ol 4Α-hydroxymethyl-4β-methyl-5α-cholesta-8-en-3β-ol 4a-Hydroxymethyl-4beta-methyl-5a-cholesta-8-en-3beta-ol 4alpha-Hydroxymethyl-4b-methyl-5alpha-cholesta-8-en-3b-ol C29H50O2 430.7061 430.381080844 (2S,5S,6R,15R)-6-(hydroxymethyl)-2,6,15-trimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-5-ol (2S,5S,6R,15R)-6-(hydroxymethyl)-2,6,15-trimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-5-ol CC(C)CCCC(C)C1CCC2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@](C)(CO)C1CC3 InChI=1S/C29H50O2/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25-28(5,24(21)14-16-27(22,23)4)17-15-26(31)29(25,6)18-30/h19-20,22-23,25-26,30-31H,7-18H2,1-6H3/t20?,22?,23?,25?,26-,27+,28+,29-/m0/s1 UVSRXDFMOZKKGE-AEWFMJFUSA-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-beta-hydroxysteroids Cholesterols and derivatives Cyclic alcohols and derivatives Hydrocarbon derivatives Primary alcohols Secondary alcohols 3-beta-hydroxysteroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Cholestane-skeleton Cholesterol-skeleton Cyclic alcohol Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Primary alcohol Secondary alcohol Steroid Triterpenoid Aliphatic homopolycyclic compounds Solid logp 6.29 ALOGPS logs -5.59 ALOGPS logp 6.53 ChemAxon pka_strongest_acidic 14.49 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac (2S,5S,6R,15R)-6-(hydroxymethyl)-2,6,15-trimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-5-ol ChemAxon average_mass 430.7061 ChemAxon mono_mass 430.381080844 ChemAxon smiles CC(C)CCCC(C)C1CCC2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@](C)(CO)C1CC3 ChemAxon formula C29H50O2 ChemAxon inchi InChI=1S/C29H50O2/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25-28(5,24(21)14-16-27(22,23)4)17-15-26(31)29(25,6)18-30/h19-20,22-23,25-26,30-31H,7-18H2,1-6H3/t20?,22?,23?,25?,26-,27+,28+,29-/m0/s1 ChemAxon inchikey UVSRXDFMOZKKGE-AEWFMJFUSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 130.99 ChemAxon polarizability 55.07 ChemAxon rotatable_bond_count 6 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 11643 Specdb::CMs 39849 Specdb::CMs 162471 Specdb::MsMs 291694 Specdb::MsMs 291695 Specdb::MsMs 291696 Specdb::MsMs 331675 Specdb::MsMs 331676 Specdb::MsMs 331677 Specdb::MsMs 2384645 Specdb::MsMs 2384646 Specdb::MsMs 2384647 Specdb::MsMs 2577108 Specdb::MsMs 2577109 Specdb::MsMs 2577110 25203709 FDB028825