1.0 2016-06-03 12:55:16 UTC 2026-03-26 20:25:40 UTC 17β-hydroxy-17-(3-hydroxypropyl)androst-4-ene-4-one SmallMolecule 17β-hydroxy-17-(3-hydroxypropyl)androst-4-ene-4-one belongs to the androstane steroids, a subclass of steroids and steroid derivatives within the organic compounds. This compound has the chemical formula C22H34O3 and an average molecular weight of 346.51 g/mol. It has been identified in one recorded source, specifically drinking water and water supply. The recorded exposure route for this substance is oral. C22H34O3 346.511 346.250794955 (1S,2R,10R,11S,14R,15S)-14-hydroxy-14-(3-hydroxypropyl)-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-(3-hydroxypropyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one 55542-27-3 [H][C@@]12CC[C@@](O)(CCCO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C InChI=1S/C22H34O3/c1-20-10-6-16(24)14-15(20)4-5-17-18(20)7-11-21(2)19(17)8-12-22(21,25)9-3-13-23/h14,17-19,23,25H,3-13H2,1-2H3/t17-,18+,19+,20+,21+,22+/m1/s1 BBQBWWOTUMFPIE-GUCLMQHLSA-N Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids Androgens and derivatives 17-hydroxysteroids 3-oxo delta-4-steroids Cyclic alcohols and derivatives Cyclohexenones Delta-4-steroids Hydrocarbon derivatives Organic oxides Primary alcohols Tertiary alcohols 17-hydroxysteroid 3-oxo-delta-4-steroid 3-oxosteroid 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 Primary alcohol Tertiary alcohol Aliphatic homopolycyclic compounds Detected and Not Quantified logp 3.17 ALOGPS logs -4.17 ALOGPS solubility 2.33e-02 g/l ALOGPS logp 3.18 ChemAxon pka_strongest_acidic 14.35 ChemAxon pka_strongest_basic -2.4 ChemAxon iupac (1S,2R,10R,11S,14R,15S)-14-hydroxy-14-(3-hydroxypropyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one ChemAxon average_mass 346.511 ChemAxon mono_mass 346.250794955 ChemAxon smiles [H][C@@]12CC[C@@](O)(CCCO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C ChemAxon formula C22H34O3 ChemAxon inchi InChI=1S/C22H34O3/c1-20-10-6-16(24)14-15(20)4-5-17-18(20)7-11-21(2)19(17)8-12-22(21,25)9-3-13-23/h14,17-19,23,25H,3-13H2,1-2H3/t17-,18+,19+,20+,21+,22+/m1/s1 ChemAxon inchikey BBQBWWOTUMFPIE-GUCLMQHLSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 100.12 ChemAxon polarizability 41.11 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72264ca0a0> 13314936