1.0 2020-03-26 13:18:30 UTC 2020-04-22 20:21:38 UTC BMDB0109614 3beta,17alpha-Dihydroxy-5alpha-androstane 5-ALPHA-ANDROSTANE-3-BETA,17-ALPHA-diol 5-a-ANDROSTANE-3-b,17-a-diol 5-Α-androstane-3-β,17-α-diol 3b,17a-Dihydroxy-5a-androstane 3Β,17α-dihydroxy-5α-androstane 5 Androstane 3,17 diol 5 alpha Androstane 3 alpha,17 beta diol 5 alpha Androstane 3 beta,17 alpha diol 5 alpha Androstane 3 beta,17 beta diol 5 alpha Androstane 3alpha,17 beta diol 5 alpha-Androstane-3 alpha,17 beta-diol 5 alpha-Androstane-3 beta,17 alpha-diol 5 alpha-Androstane-3 beta,17 beta-diol 5 alpha-Androstane-3alpha,17 beta-diol 5 beta Androstane 3 alpha,17 beta diol 5 beta-Androstane-3 alpha,17 beta-diol 5-Androstane-3,17-diol 5alpha Androstane 3beta,17alpha diol 5alpha-Androstane-3beta,17alpha-diol Androstane 3,17 diol Androstane-3,17-diol 5a-Androstane-3b,17a-diol 5Α-androstane-3β,17α-diol (3beta,5alpha,17alpha)-Androstane-3,17-diol (3Β,5α,17α)-androstane-3,17-diol 5alpha-Androstan-3beta,17alpha-diol 5Α-androstan-3β,17α-diol 3beta,17alpha-Dihydroxy-5alpha-androstane C19H32O2 292.4562 292.240230268 (1S,2S,5S,7S,10R,11S,14R,15S)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane-5,14-diol (1S,2S,5S,7S,10R,11S,14R,15S)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane-5,14-diol 5856-11-1 [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-/m0/s1 CBMYJHIOYJEBSB-MFXFBURESA-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-beta-hydroxysteroids Cyclic alcohols and derivatives Hydrocarbon derivatives Secondary alcohols 17-hydroxysteroid 3-beta-hydroxysteroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Androgen-skeleton Cyclic alcohol Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol Aliphatic homopolycyclic compounds 17alpha-hydroxy steroid 3beta-hydroxy steroid C19 steroids (androgens) and derivatives androstane-3,17-diol logp 3.56 ALOGPS logs -4.18 ALOGPS logp 3.2 ChemAxon pka_strongest_acidic 18.3 ChemAxon pka_strongest_basic -0.76 ChemAxon iupac (1S,2S,5S,7S,10R,11S,14R,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-/m0/s1 ChemAxon inchikey CBMYJHIOYJEBSB-MFXFBURESA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 84.63 ChemAxon polarizability 35.45 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::MsMs 263322 Specdb::MsMs 263323 Specdb::MsMs 263324 Specdb::MsMs 283251 Specdb::MsMs 283252 Specdb::MsMs 283253 Specdb::MsMs 3047795 Specdb::MsMs 3047796 Specdb::MsMs 3047797 Specdb::MsMs 3095692 Specdb::MsMs 3095693 Specdb::MsMs 3095694 Specdb::CMs 137665 Specdb::CMs 145399 Specdb::CMs 1060884 Specdb::CMs 1060886 Specdb::CMs 1060888 Specdb::CMs 1060890 Specdb::CMs 1060892 Specdb::CMs 1060893 DB03926 FDB111637 394165 446934 40836 5401