1.0 2016-09-30 23:19:38 UTC 2020-04-22 15:16:40 UTC BMDB0006013 BMDB06013 7a,17-dimethyl-5b-Androstane-3a,17b-diol (3a,5b,7a,17b)-7,17-Dimethyl-androstane-3,17-diol 7a,17a-Dimethyl-5b-androstane-3a,17b-diol C21H36O2 320.5093 320.271530396 (1S,2S,5R,7R,9R,10R,11S,14S,15S)-2,9,14,15-tetramethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-5,14-diol (1S,2S,5R,7R,9R,10R,11S,14S,15S)-2,9,14,15-tetramethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-5,14-diol 13611-10-4 [H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](C)C[C@]2([H])C[C@H](O)CC[C@]12C InChI=1S/C21H36O2/c1-13-11-14-12-15(22)5-8-19(14,2)16-6-9-20(3)17(18(13)16)7-10-21(20,4)23/h13-18,22-23H,5-12H2,1-4H3/t13-,14-,15-,16+,17+,18-,19+,20+,21+/m1/s1 ZWQUPIDNCOVROC-HEEAJRSSSA-N belongs to the class of organic compounds known as androgens and derivatives. These are 3-hydroxylated C19 steroid hormones. They are known to favor the development of masculine characteristics. They also show profound effects on scalp and body hair in humans. Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids Androgens and derivatives 17-hydroxysteroids 3-alpha-hydroxysteroids Cyclic alcohols and derivatives Hydrocarbon derivatives Secondary alcohols Tertiary alcohols 17-hydroxysteroid 3-alpha-hydroxysteroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Androgen-skeleton Cyclic alcohol Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol Tertiary alcohol Aliphatic homopolycyclic compounds Solid logp 4.23 ALOGPS logs -5.16 ALOGPS logp 3.77 ChemAxon pka_strongest_acidic 18.3 ChemAxon pka_strongest_basic -0.47 ChemAxon iupac (1S,2S,5R,7R,9R,10R,11S,14S,15S)-2,9,14,15-tetramethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-5,14-diol ChemAxon average_mass 320.5093 ChemAxon mono_mass 320.271530396 ChemAxon smiles [H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](C)C[C@]2([H])C[C@H](O)CC[C@]12C ChemAxon formula C21H36O2 ChemAxon inchi InChI=1S/C21H36O2/c1-13-11-14-12-15(22)5-8-19(14,2)16-6-9-20(3)17(18(13)16)7-10-21(20,4)23/h13-18,22-23H,5-12H2,1-4H3/t13-,14-,15-,16+,17+,18-,19+,20+,21+/m1/s1 ChemAxon inchikey ZWQUPIDNCOVROC-HEEAJRSSSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 93.82 ChemAxon polarizability 38.64 ChemAxon rotatable_bond_count 0 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 11131 Specdb::CMs 38934 Specdb::CMs 167214 Specdb::MsMs 290548 Specdb::MsMs 290549 Specdb::MsMs 290550 Specdb::MsMs 330244 Specdb::MsMs 330245 Specdb::MsMs 330246 Specdb::MsMs 2462419 Specdb::MsMs 2462420 Specdb::MsMs 2462421 Specdb::MsMs 2500520 Specdb::MsMs 2500521 Specdb::MsMs 2500522 23254171 15706076 FDB023802