2.0 2015-09-08 17:48:25 -0600 2015-09-08 17:48:25 -0600 ECMDB24015 M2MDB006132 Androsterone C19H30O2 290.4403 290.224580204 (1S,2S,5R,7S,10R,11S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-one (1S,2S,5R,7S,10R,11S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-one [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(O)CC[C@]12C InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13?,14-,15-,16-,18-,19-/m0/s1 QGXBDMJGAMFCBF-XYQQMQERSA-N logp 3.71 ALOGPS logs -4.66 ALOGPS solubility 6.37e-03 g/l ALOGPS logp 3.77 ChemAxon pka_strongest_acidic 18.3 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac (1S,2S,5R,7S,10R,11S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-one ChemAxon average_mass 290.4403 ChemAxon mono_mass 290.224580204 ChemAxon smiles [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(O)CC[C@]12C ChemAxon formula C19H30O2 ChemAxon inchi InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13?,14-,15-,16-,18-,19-/m0/s1 ChemAxon inchikey QGXBDMJGAMFCBF-XYQQMQERSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 83.81 ChemAxon polarizability 34.56 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 2017 Specdb::CMs 2035 Specdb::CMs 150386 Specdb::CMs 1047160 Specdb::CMs 1047162 Specdb::CMs 1047165 Specdb::CMs 1047167 Specdb::MsMs 62256 Specdb::MsMs 62257 Specdb::MsMs 62258 Specdb::MsMs 118938 Specdb::MsMs 118939 Specdb::MsMs 118940 Specdb::MsMs 2226870 Specdb::MsMs 2227822 Specdb::MsMs 2231819 Specdb::MsMs 2232352 Specdb::MsMs 2234704 Specdb::MsMs 2252739 Specdb::MsMs 2253758 Specdb::MsMs 2254817 Specdb::MsMs 2255404 Specdb::MsMs 2255739 Specdb::MsMs 2256908 Specdb::MsMs 2257446 Specdb::MsMs 2257701 Specdb::MsMs 2258852 Specdb::MsMs 2259700 Specdb::MsMs 2365438 Specdb::MsMs 2365439 Specdb::MsMs 2365440 Specdb::MsMs 2596798