1.0 2016-09-30 23:20:58 UTC 2020-05-11 20:24:38 UTC BMDB0006259 BMDB06259 6β-Hydroxytestosterone (6beta,17beta)-6,17-Dihydroxyandrost-4-en-3-one 4-Androsten-6beta,17beta-diol-3-one 6beta,17beta-Dihydroxy-4-androsten-3-one 6beta,17beta-Dihydroxyandrost-4-en-3-one (6b,17b)-6,17-Dihydroxyandrost-4-en-3-one (6Β,17β)-6,17-dihydroxyandrost-4-en-3-one 4-Androsten-6b,17b-diol-3-one 4-Androsten-6β,17β-diol-3-one 6b,17b-Dihydroxy-4-androsten-3-one 6Β,17β-dihydroxy-4-androsten-3-one 6b,17b-Dihydroxyandrost-4-en-3-one 6Β,17β-dihydroxyandrost-4-en-3-one 6b-Hydroxytestosterone 6Β-hydroxytestosterone 6 beta-Hydroxytestosterone 6 beta-Hydroxytestosterone, (17beta)-isomer 6 beta-Hydroxytestosterone, (6alpha,17beta)-isomer 6 beta Hydroxy testosterone 6,17-Dihydroxy-(6b,17b)-androst-4-en-3-one 6,17-Dihydroxy-(6beta,17beta)-androst-4-en-3-one 6,17-Dihydroxyandrost-4-en-3-one (acd/name 4.0) C19H28O3 304.4238 304.203844762 (1S,2R,8R,10R,11S,14S,15S)-8,14-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one 6β-hydroxytestosterone 62-99-7 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](O)C2=CC(=O)CC[C@]12C InChI=1S/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13-,14-,16+,17-,18+,19-/m0/s1 XSEGWEUVSZRCBC-ZVBLRVHNSA-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-oxo delta-4-steroids 6-hydroxysteroids Cyclic alcohols and derivatives Cyclohexenones Delta-4-steroids Hydrocarbon derivatives Organic oxides Secondary alcohols 17-hydroxysteroid 3-oxo-delta-4-steroid 3-oxosteroid 6-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Androgen-skeleton Carbonyl group Cyclic alcohol Cyclic ketone Cyclohexenone Delta-4-steroid Hydrocarbon derivative Hydroxysteroid Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxosteroid Secondary alcohol Aliphatic homopolycyclic compounds 17beta-hydroxy steroid 3-oxo steroid 6beta-hydroxy steroid C19 steroids (androgens) and derivatives androstanoid Solid logp 2.09 ALOGPS logs -3.50 ALOGPS logp 2.13 ChemAxon pka_strongest_acidic 14.55 ChemAxon pka_strongest_basic -0.88 ChemAxon iupac (1S,2R,8R,10R,11S,14S,15S)-8,14-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one ChemAxon average_mass 304.4238 ChemAxon mono_mass 304.203844762 ChemAxon smiles [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](O)C2=CC(=O)CC[C@]12C ChemAxon formula C19H28O3 ChemAxon inchi InChI=1S/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13-,14-,16+,17-,18+,19-/m0/s1 ChemAxon inchikey XSEGWEUVSZRCBC-ZVBLRVHNSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 85.95 ChemAxon polarizability 34.69 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 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 50121 Specdb::MsMs 50122 Specdb::MsMs 50123 Specdb::MsMs 122790 Specdb::MsMs 122791 Specdb::MsMs 122792 Specdb::MsMs 2464077 Specdb::MsMs 2464078 Specdb::MsMs 2464079 Specdb::MsMs 2502143 Specdb::MsMs 2502144 Specdb::MsMs 2502145 Specdb::CMs 15586 Specdb::CMs 38983 Specdb::CMs 131967 Specdb::CMs 139701 Kidney Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Liver Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 C14497 18558308 18603089 FDB023864 34477 Furuta Takashi; Suzuki Atsushi; Matsuzawa Mitsuhiro; Shibasaki Hiromi; Kasuya Yasuji Syntheses of stable isotope-labeled 6 beta-hydroxycortisol, 6 beta-hydroxycortisone, and 6 beta-hydroxytestosterone. Steroids (2003), 68(7-8), 693-703.