1.0 2020-02-10 19:48:03 UTC 2020-03-23 21:06:22 UTC BMDB0063729 BMDB63729 Boldenone 17-sulfate Boldenone sulfuric acid Boldenone sulphate Boldenone sulphuric acid C19H26O5S 366.47 366.150095111 [(1S,2R,10R,11S,14S,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-14-yl]oxidanesulfonic acid [(1S,2R,10R,11S,14S,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-14-yl]oxidanesulfonic acid [H][C@@]12CC[C@H](OS(O)(=O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C InChI=1S/C19H26O5S/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(24-25(21,22)23)19(15,2)10-8-16(14)18/h7,9,11,14-17H,3-6,8,10H2,1-2H3,(H,21,22,23)/t14-,15-,16-,17-,18-,19-/m0/s1 GSLOLTKGVZFNKZ-DYKIIFRCSA-N belongs to the class of organic compounds known as sulfated steroids. These are sterol lipids containing a sulfate group attached to the steroid skeleton. Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Sulfated steroids Sulfated steroids 3-oxo delta-1,4-steroids Alkyl sulfates Androgens and derivatives Cyclic ketones Delta-1,4-steroids Hydrocarbon derivatives Organic oxides Sulfuric acid monoesters 3-oxo-delta-1,4-steroid 3-oxosteroid Aliphatic homopolycyclic compound Alkyl sulfate Androgen-skeleton Androstane-skeleton Carbonyl group Cyclic ketone Delta-1,4-steroid Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organic sulfuric acid or derivatives Organooxygen compound Oxosteroid Sulfate-ester Sulfated steroid skeleton Sulfuric acid ester Sulfuric acid monoester Aliphatic homopolycyclic compounds logp -0.08 ALOGPS logs -5.13 ALOGPS logp 3.42 ChemAxon pka_strongest_acidic -1.2 ChemAxon pka_strongest_basic -5 ChemAxon iupac [(1S,2R,10R,11S,14S,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-14-yl]oxidanesulfonic acid ChemAxon average_mass 366.47 ChemAxon mono_mass 366.150095111 ChemAxon smiles [H][C@@]12CC[C@H](OS(O)(=O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C ChemAxon formula C19H26O5S ChemAxon inchi InChI=1S/C19H26O5S/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(24-25(21,22)23)19(15,2)10-8-16(14)18/h7,9,11,14-17H,3-6,8,10H2,1-2H3,(H,21,22,23)/t14-,15-,16-,17-,18-,19-/m0/s1 ChemAxon inchikey GSLOLTKGVZFNKZ-DYKIIFRCSA-N ChemAxon polar_surface_area 80.67 ChemAxon refractivity 95.51 ChemAxon polarizability 39.06 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge -1 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 48063700 29974768