1.0 2011-09-21 00:08:39 UTC 2015-07-21 06:56:59 UTC FDB022111 Etiocholanediol Etiocholanediol is one of the compounds tested to allow for the unequivocal identification of the presence of urinary anabolic steroids and metabolites banned for use in sport by athletes. In urine samples collected for anti-doping purposes with moderately elevated testosterone and epitestosterone ratio, or when a suspicion of manipulation of the sample occurs, Etiocholanediol is tested for further clarification. It is worth mentioning that the concentration parameters vary enormously according to the gender of the subjects, ethnic origin, the urine collection period (before or after effort, period of the day) and the hydration state of the athlete. Urinary steroid data using several methodologies are not appropriate for identification purposes and to an extent not unique to individuals. (PMID: 16337352, 16338181, 16337352, 17260133) [HMDB] (3a,5b,17b)-Androstane-3,17-diol (3alpha,5beta,17beta)-Androstane-3,17-diol (3α,5β,17β)-androstane-3,17-diol 3a,17b-Dihydroxyetiocholane 3alpha,17beta-Dihydroxyetiocholane 3α,17β-dihydroxyetiocholane 5b-Androstane-3a,17b-diol b-Androstane-3a,17b-diol beta-Androstane-3a,17b-diol C19H32O2 292.4562 292.240230268 (1S,2S,5R,7R,10R,11S,14S,15S)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane-5,14-diol (1S,2S,5R,7R,10R,11S,14S,15S)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane-5,14-diol 1851-23-6 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C InChI=1S/C19H32O2/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/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17+,18+,19+/m1/s1 CBMYJHIOYJEBSB-GCXXXECGSA-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. Androgens and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids Aliphatic homopolycyclic compounds 17-hydroxysteroids 3-alpha-hydroxysteroids Cyclic alcohols and derivatives Hydrocarbon derivatives Secondary 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 C19 steroids (androgens) and derivatives androstane-3alpha,17beta-diol Solid logp 3.56 ALOGPS logs -4.18 ALOGPS solubility 1.93e-02 g/l ALOGPS logp 3.2 ChemAxon pka_strongest_acidic 18.3 ChemAxon pka_strongest_basic -0.76 ChemAxon iupac (1S,2S,5R,7R,10R,11S,14S,15S)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane-5,14-diol ChemAxon average_mass 292.4562 ChemAxon mono_mass 292.240230268 ChemAxon smiles [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C ChemAxon formula C19H32O2 ChemAxon inchi InChI=1S/C19H32O2/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/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17+,18+,19+/m1/s1 ChemAxon inchikey CBMYJHIOYJEBSB-GCXXXECGSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 84.63 ChemAxon polarizability 35.2 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 324238 Specdb::MsMs 324239 Specdb::MsMs 324240 Specdb::MsMs 372598 Specdb::MsMs 372599 Specdb::MsMs 372600 Specdb::MsMs 2796134 Specdb::MsMs 2796135 Specdb::MsMs 2796136 Specdb::MsMs 2885546 Specdb::MsMs 2885547 Specdb::MsMs 2885548 Specdb::CMs 26285 Specdb::CMs 37615 Specdb::CMs 137441 Specdb::CMs 145175 Specdb::CMs 1065639 Specdb::CMs 1065641 Specdb::CMs 1065643 Specdb::CMs 1065645 Specdb::CMs 1065647 HMDB00551 36714 #<Reference:0x000055ce331f59f8> #<Reference:0x000055ce331f5840> #<Reference:0x000055ce331f5688> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823