1.0 2016-09-30 23:06:22 UTC 2020-04-22 15:12:50 UTC BMDB0003851 BMDB03851 3a,7a-Dihydroxy-5b-cholestanate 3a,7a-Dihydroxy-5b-cholestanic acid 17,20a-Dihydroxy-4-pregnen-3-one 17,20a-Dihydroxy-pregn-4-en-3-one 17a,20a-Dihydroxy-4-pregnen-3-one 17a,20a-Dihydroxypregn-4-ene-3-one 17a,20a-Dihydroxyprogesterone 17a-Hydroxy-20a-dihydroprogesterone 20a-Dihydroxyprogesterone 3alpha,7alpha-Dihydroxy-5beta-cholestanate Pregn-4-ene-17a,20a-diol-3-one (20S)-Isomer OF 17,20-dihydroxy-4-pregnen-3-one 17 alpha,20 alpha-Dihydroxyprogesterone 17,20 beta-Dihydroxy-4-pregnen-3-one 17,20-Dihydroxy-4-pregnen-3-one 17,20beta-P 17,20beta-Dihydroxy-4-pregnen-3-one 17a,20a-DHP 17alpha,20beta-DP 4-Pregnene-17 alpha,20 alpha-diol-3-one Maturation-inducing steroid C21H32O3 332.477 332.23514489 (1S,2R,10R,11S,14S,15S)-14-hydroxy-14-(2-hydroxyethyl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one 20a-dihydroxyprogesterone [H][C@@]12CC[C@](O)(CCO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C InChI=1S/C21H32O3/c1-19-8-5-15(23)13-14(19)3-4-16-17(19)6-9-20(2)18(16)7-10-21(20,24)11-12-22/h13,16-18,22,24H,3-12H2,1-2H3/t16-,17+,18+,19+,20+,21+/m1/s1 ABBVGECYEGYVPY-CEGNMAFCSA-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 17-hydroxysteroids 3-oxo delta-4-steroids Cyclic alcohols and derivatives Cyclohexenones Delta-4-steroids Gluco/mineralocorticoids, progestogins and derivatives Hydrocarbon derivatives Organic oxides Primary alcohols Tertiary alcohols 17-hydroxysteroid 21-hydroxysteroid 3-oxo-delta-4-steroid 3-oxosteroid Alcohol Aliphatic homopolycyclic compound Carbonyl group Cyclic alcohol Cyclic ketone Cyclohexenone Delta-4-steroid Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxosteroid Pregnane-skeleton Primary alcohol Progestogin-skeleton Tertiary alcohol Aliphatic homopolycyclic compounds Solid logp 5.321 logp 2.79 ALOGPS logs -3.96 ALOGPS logp 2.66 ChemAxon pka_strongest_acidic 14.28 ChemAxon pka_strongest_basic -2.4 ChemAxon iupac (1S,2R,10R,11S,14S,15S)-14-hydroxy-14-(2-hydroxyethyl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one ChemAxon average_mass 332.477 ChemAxon mono_mass 332.23514489 ChemAxon smiles [H][C@@]12CC[C@](O)(CCO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C ChemAxon formula C21H32O3 ChemAxon inchi InChI=1S/C21H32O3/c1-19-8-5-15(23)13-14(19)3-4-16-17(19)6-9-20(2)18(16)7-10-21(20,24)11-12-22/h13,16-18,22,24H,3-12H2,1-2H3/t16-,17+,18+,19+,20+,21+/m1/s1 ChemAxon inchikey ABBVGECYEGYVPY-CEGNMAFCSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 95.48 ChemAxon polarizability 39.13 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::CMs 12170 Specdb::CMs 38663 Specdb::MsMs 292774 Specdb::MsMs 292775 Specdb::MsMs 292776 Specdb::MsMs 333067 Specdb::MsMs 333068 Specdb::MsMs 333069 FDB023238 107835 Al-Awadi, Sameera; Afzal, Mohammed; Oommen, Sosamma. Studies on Geobacillus stearothermophilus-part V1: transformation of 17a-hydroxyprogesterone and 21-hydroxyprogesterone. Biocatalysis and Biotransformation (2007), 25(1), 43-50.