1.0 2016-09-30 22:37:59 UTC 2020-04-22 15:05:45 UTC BMDB0000879 BMDB00879 Tetrahydrodeoxycorticosterone 5alpha-THDOC 3alpha,21-Dihydroxy-5alpha-pregnan-20-one 5a-THDOC 5Α-thdoc 3a,21-Dihydroxy-5a-pregnan-20-one 3Α,21-dihydroxy-5α-pregnan-20-one 3alpha,21-Dihydroxy-5beta-pregnan-20-one 5-alpha-THDOC Allotetrahydrodeoxycorticosterone Deoxycorticosterone-21-aminopropane Tetrahydro-11-deoxycorticosterone 3 alpha,21-Dihydroxy-5 beta-pregnan-20-one 3 alpha,5 beta-Tetrahydrodeoxycorticosterone 3 beta,5 alpha-Tetrahydrodeoxycorticosterone 3,21-Dihydroxypregnan-20-one 5alpha-Pregnan-3alpha,21-diol-20-one 5alpha-Pregnane-3alpha,21-diol-20-one THDOC Pregnane-3,21-diol-20-one Tetrahydrodeoxycorticosterone, (3alpha,5alpha)-isomer Tetrahydrodeoxycorticosterone, (3beta,5alpha)-isomer Tetrahydrodesoxycorticosterone C21H34O3 334.4929 334.250794954 2-hydroxy-1-[(1S,2S,5R,7S,10R,11S,14S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]ethan-1-one tetrahydrodeoxycorticosterone 567-02-2 [H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C InChI=1S/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14+,15-,16-,17-,18+,20-,21-/m0/s1 CYKYBWRSLLXBOW-GDYGHMJCSA-N belongs to the class of organic compounds known as 21-hydroxysteroids. These are steroids carrying a hydroxyl group at the 21-position of the steroid backbone. Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids 21-hydroxysteroids 20-oxosteroids 3-alpha-hydroxysteroids Alpha-hydroxy ketones Cyclic alcohols and derivatives Gluco/mineralocorticoids, progestogins and derivatives Hydrocarbon derivatives Organic oxides Primary alcohols Secondary alcohols 20-oxosteroid 21-hydroxysteroid 3-alpha-hydroxysteroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Alpha-hydroxy ketone Carbonyl group Cyclic alcohol Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxosteroid Pregnane-skeleton Primary alcohol Progestogin-skeleton Secondary alcohol Aliphatic homopolycyclic compounds 21-hydroxy steroid Glycine conjugates Solid logp 3.52 ALOGPS logs -4.11 ALOGPS logp 3.17 ChemAxon pka_strongest_acidic 13.86 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac 2-hydroxy-1-[(1S,2S,5R,7S,10R,11S,14S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]ethan-1-one ChemAxon average_mass 334.4929 ChemAxon mono_mass 334.250794954 ChemAxon smiles [H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C ChemAxon formula C21H34O3 ChemAxon inchi InChI=1S/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14+,15-,16-,17-,18+,20-,21-/m0/s1 ChemAxon inchikey CYKYBWRSLLXBOW-GDYGHMJCSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 94.61 ChemAxon polarizability 39.48 ChemAxon rotatable_bond_count 2 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 72549 Specdb::MsMs 72550 Specdb::MsMs 72551 Specdb::MsMs 131508 Specdb::MsMs 131509 Specdb::MsMs 131510 Specdb::MsMs 2410831 Specdb::MsMs 2410832 Specdb::MsMs 2410833 Specdb::MsMs 2554636 Specdb::MsMs 2554637 Specdb::MsMs 2554638 Specdb::CMs 12891 Specdb::CMs 37821 Specdb::CMs 172269 Specdb::CMs 1080872 Specdb::CMs 1080874 Specdb::CMs 1080876 Specdb::CMs 1080878 Specdb::CMs 1080880 Specdb::CMs 1080882 Specdb::CMs 1080884 Specdb::CMs 1080886 Specdb::CMs 1080888 Specdb::CMs 1080890 Specdb::CMs 1080892 Specdb::CMs 1080894 Specdb::CMs 1080896 Specdb::CMs 1080898 Specdb::CMs 1080900 Specdb::CMs 1080902 Specdb::CMs 1080904 FDB022296 91953 C13713 101771 805752 Tetrahydrodeoxycorticosterone 5840 Holland, Herbert L.; Ninniss, Ronald W.; Brown, Frances M. Stereochemistry of hydrogen loss during C-21 dehydroxylation of tetrahydrodeoxycorticosterone by Eubacterium lentum. Canadian Journal of Chemistry (1989), 67(10), 1590-5.