1.0 2016-10-03 18:22:19 UTC 2020-04-22 15:45:46 UTC BMDB0011653 BMDB11653 17-alpha,20-alpha-Dihydroxypregn-4-en-3-one 17a,20a-Dihydroxypregn-4-en-3-one 17Α,20α-dihydroxypregn-4-en-3-one 17alpha,20alpha-Dihydroxypregn-4-en-3-one 17-a,20-a-Dihydroxypregn-4-en-3-one 17-α,20-α-dihydroxypregn-4-en-3-one (20S)-17,20-Dihydroxypregn-4-en-3-one 17 alpha, 20 alpha-OHP 17 alpha, 20 alpha-P 17,20 alpha-OHP 17-alpha,20-alpha-Dihydroxypregn-4-en-3-one 4-Pregnen-17a, 20a-diol-3-one 4-Pregnen-17α, 20α-diol-3-one 4-Pregnen-17alpha, 20alpha-diol-3-one 17a-Hydroxy-20a-dihydroprogesterone 17α-Hydroxy-20α-dihydroprogesterone 17alpha-Hydroxy-20alpha-dihydroprogesterone 20a-Dihydroxyprogesterone 20α-Dihydroxyprogesterone 20alpha-Dihydroxyprogesterone 17,20α-Dihydroxy-4-pregnen-3-one 17,20a-Dihydroxy-4-pregnen-3-one 17,20alpha-Dihydroxy-4-pregnen-3-one 17,20α-Dihydroxy-pregn-4-en-3-one 17,20a-Dihydroxy-pregn-4-en-3-one 17,20alpha-Dihydroxy-pregn-4-en-3-one 17α,20α-Dihydroxy-4-pregnen-3-one 17a,20a-Dihydroxy-4-pregnen-3-one 17alpha,20alpha-Dihydroxy-4-pregnen-3-one 17α,20α-Dihydroxypregn-4-ene-3-one 17a,20a-Dihydroxypregn-4-ene-3-one 17alpha,20alpha-Dihydroxypregn-4-ene-3-one 17α,20α-Dihydroxyprogesterone 17a,20a-Dihydroxyprogesterone 17alpha,20alpha-Dihydroxyprogesterone Pregn-4-ene-17α,20α-diol-3-one Pregn-4-ene-17a,20a-diol-3-one Pregn-4-ene-17alpha,20alpha-diol-3-one C21H32O3 332.477 332.23514489 (1S,2R,10R,11S,14R,15S)-14-hydroxy-14-[(1S)-1-hydroxyethyl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one (1S,2R,10R,11S,14R,15S)-14-hydroxy-14-[(1S)-1-hydroxyethyl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one 652-69-7 [H][C@@]12CC[C@](O)([C@H](C)O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12-13,16-18,22,24H,4-11H2,1-3H3/t13-,16+,17-,18-,19-,20-,21-/m0/s1 MASCESDECGBIBB-HNXXTFFGSA-N belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety. Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Pregnane steroids Gluco/mineralocorticoids, progestogins and derivatives 1,2-diols 17-hydroxysteroids 3-oxo delta-4-steroids Cyclic alcohols and derivatives Cyclohexenones Delta-4-steroids Hydrocarbon derivatives Organic oxides Secondary alcohols Tertiary alcohols 1,2-diol 17-hydroxysteroid 20-hydroxysteroid 3-oxo-delta-4-steroid 3-oxosteroid Alcohol Aliphatic homopolycyclic compound Carbonyl group Cyclic alcohol Cyclic ketone Cyclohexenone Delta-4-steroid Hydrocarbon derivative Hydroxysteroid Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxosteroid Progestogin-skeleton Secondary alcohol Tertiary alcohol Aliphatic homopolycyclic compounds 17,20-dihydroxypregn-4-en-3-one C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives Solid logp 2.84 ALOGPS logs -3.91 ALOGPS logp 3.02 ChemAxon pka_strongest_acidic 13.42 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac (1S,2R,10R,11S,14R,15S)-14-hydroxy-14-[(1S)-1-hydroxyethyl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one ChemAxon average_mass 332.477 ChemAxon mono_mass 332.23514489 ChemAxon smiles [H][C@@]12CC[C@](O)([C@H](C)O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C ChemAxon formula C21H32O3 ChemAxon inchi InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12-13,16-18,22,24H,4-11H2,1-3H3/t13-,16+,17-,18-,19-,20-,21-/m0/s1 ChemAxon inchikey MASCESDECGBIBB-HNXXTFFGSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 95.03 ChemAxon polarizability 38.63 ChemAxon rotatable_bond_count 1 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::CMs 14242 Specdb::CMs 39744 Specdb::CMs 132539 Specdb::CMs 140273 Specdb::NmrOneD 2053 Specdb::MsMs 297409 Specdb::MsMs 297410 Specdb::MsMs 297411 Specdb::MsMs 338941 Specdb::MsMs 338942 Specdb::MsMs 338943 Specdb::MsMs 2719470 Specdb::MsMs 2719471 Specdb::MsMs 2719472 Specdb::MsMs 2958738 Specdb::MsMs 2958739 Specdb::MsMs 2958740 Specdb::NmrTwoD 1986 FDB028344 389326 16418 440368 C04518 17-ALPHA20-ALPHA-DIHYDROXYPREGN-4-EN-3- BMDBP00798 Aldo-keto reductase family 1 member B1 P16116 AKR1B1 Enzyme