1.0 2016-10-03 18:32:34 UTC 2020-04-22 15:48:33 UTC BMDB0012116 BMDB12116 (5Alpha)-campestan-3-one (5a)-Campestan-3-one (5Α)-campestan-3-one (24R)-24-Methyl-5alpha-cholestan-3-one 3-Dehydro-campestanol Methylcholestanone C28H48O 400.6801 400.370516158 (2S,7S,15R)-14-[(2R,5R)-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-one (2S,7S,15R)-14-[(2R,5R)-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-one [H][C@@]12CCC3C4CCC([C@H](C)CC[C@@H](C)C(C)C)[C@@]4(C)CCC3[C@@]1(C)CCC(=O)C2 InChI=1S/C28H48O/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/h18-21,23-26H,7-17H2,1-6H3/t19-,20-,21+,23?,24?,25?,26?,27+,28-/m1/s1 DDJMOMHMVFXEQF-YGBMKENASA-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-oxo-5-alpha-steroids Cyclic ketones Hydrocarbon derivatives Organic oxides 3-oxo-5-alpha-steroid 3-oxosteroid Aliphatic homopolycyclic compound Carbonyl group Cyclic ketone Ergosterol-skeleton Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxosteroid Aliphatic homopolycyclic compounds Solid logp 6.41 ALOGPS logs -7.52 ALOGPS logp 8.01 ChemAxon pka_strongest_basic -7.4 ChemAxon iupac (2S,7S,15R)-14-[(2R,5R)-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-one ChemAxon average_mass 400.6801 ChemAxon mono_mass 400.370516158 ChemAxon smiles [H][C@@]12CCC3C4CCC([C@H](C)CC[C@@H](C)C(C)C)[C@@]4(C)CCC3[C@@]1(C)CCC(=O)C2 ChemAxon formula C28H48O ChemAxon inchi InChI=1S/C28H48O/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/h18-21,23-26H,7-17H2,1-6H3/t19-,20-,21+,23?,24?,25?,26?,27+,28-/m1/s1 ChemAxon inchikey DDJMOMHMVFXEQF-YGBMKENASA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 123.29 ChemAxon polarizability 51.95 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 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 22941 Specdb::MsMs 316960 Specdb::MsMs 316961 Specdb::MsMs 316962 Specdb::MsMs 363340 Specdb::MsMs 363341 Specdb::MsMs 363342 FDB028780 25201374