1.0 2016-09-30 22:32:19 UTC 2020-04-22 15:04:02 UTC BMDB0000534 BMDB00534 Campestanol (24R)-5a-Ergostan-3b-ol 24b-Ethylcholestanol 24b-Methylcholestanol 5a-Dihydrocampesterol Chalinastanol dihydro-Neospongosterol Dihydrocampesterin C28H50O 402.696 402.386166222 (1S,2S,10R,11S,14R,15R)-14-[(2R,5R)-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-ol (1S,2S,10R,11S,14R,15R)-14-[(2R,5R)-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-ol 474-60-2 [H][C@@]12CC[C@H]([C@H](C)CC[C@@H](C)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2CC(O)CC[C@]12C InChI=1S/C28H50O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-26,29H,7-17H2,1-6H3/t19-,20-,21?,22?,23+,24-,25+,26+,27+,28-/m1/s1 ARYTXMNEANMLMU-XKPVSPJHSA-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. Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Ergostane steroids Ergosterols and derivatives 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 Aliphatic homopolycyclic compounds Solid logp 6.86 ALOGPS logs -7.49 ALOGPS logp 7.81 ChemAxon pka_strongest_acidic 18.3 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac (1S,2S,10R,11S,14R,15R)-14-[(2R,5R)-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-ol ChemAxon average_mass 402.696 ChemAxon mono_mass 402.386166222 ChemAxon smiles [H][C@@]12CC[C@H]([C@H](C)CC[C@@H](C)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2CC(O)CC[C@]12C ChemAxon formula C28H50O ChemAxon inchi InChI=1S/C28H50O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-26,29H,7-17H2,1-6H3/t19-,20-,21?,22?,23+,24-,25+,26+,27+,28-/m1/s1 ChemAxon inchikey ARYTXMNEANMLMU-XKPVSPJHSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 124.32 ChemAxon polarizability 52.93 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 1 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 21289 Specdb::CMs 37603 Specdb::CMs 161595 Specdb::CMs 1065142 Specdb::MsMs 313357 Specdb::MsMs 313358 Specdb::MsMs 313359 Specdb::MsMs 358840 Specdb::MsMs 358841 Specdb::MsMs 358842 Specdb::MsMs 2808932 Specdb::MsMs 2808933 Specdb::MsMs 2808934 Specdb::MsMs 2900316 Specdb::MsMs 2900317 Specdb::MsMs 2900318 17215967 22833530 FDB001925 C00007516 Campestanol 5519 Kircher, Henry W.; Rosenstein, Fumiko U. Purification of campesterol and preparation of 7-dehydrocampesterol, 7-campestenol, and campestanol. Lipids (1974), 9(5), 333-7.