1.0 2020-02-10 19:48:10 UTC 2020-03-23 21:05:24 UTC BMDB0063732 BMDB63732 Boldenone 17-glucuronide (17beta)-3-Oxoandrosta-1,4-dien-17-yl beta-D-glucopyranosiduronic acid (17β)-3-Oxoandrosta-1,4-dien-17-yl β-D-glucopyranosiduronic acid 17beta-Boldenone glucuronide 17β-Boldenone glucuronide Boldenone 17-O-beta-D-glucuronide Boldenone 17-O-β-D-glucuronide Boldenone 17-glucuronide C25H34O8 462.539 462.225368055 (2S,3S,4S,5R,6R)-6-{[(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]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (2S,3S,4S,5R,6R)-6-{[(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]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid [H][C@@]12CC[C@H](O[C@]3([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C InChI=1S/C25H34O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h7,9,11,14-21,23,27-29H,3-6,8,10H2,1-2H3,(H,30,31)/t14-,15-,16-,17-,18-,19-,20+,21-,23+,24-,25-/m0/s1 WTOYIEKXMIILRQ-HMAFJQTKSA-N belongs to the class of organic compounds known as steroid glucuronide conjugates. These are sterol lipids containing a glucuronide moiety linked to the steroid skeleton. Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides Steroid glucuronide conjugates 3-oxo delta-1,4-steroids Acetals Aldehydes Androgens and derivatives Beta hydroxy acids and derivatives Carboxylic acids Cyclic ketones Delta-1,4-steroids Hexoses Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glucuronides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Pyrans Secondary alcohols 1-o-glucuronide 3-oxo-delta-1,4-steroid 3-oxosteroid Acetal Alcohol Aldehyde Aliphatic heteropolycyclic compound Androgen-skeleton Androstane-skeleton Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic ketone Delta-1,4-steroid Glucuronic acid or derivatives Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Hydroxy acid Ketone Monocarboxylic acid or derivatives Monosaccharide O-glucuronide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxosteroid Polyol Pyran Secondary alcohol Steroid-glucuronide-skeleton Aliphatic heteropolycyclic compounds logp 1.72 ALOGPS logs -3.18 ALOGPS logp 1.91 ChemAxon pka_strongest_acidic 3.63 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac (2S,3S,4S,5R,6R)-6-{[(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]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid ChemAxon average_mass 462.539 ChemAxon mono_mass 462.225368055 ChemAxon smiles [H][C@@]12CC[C@H](O[C@]3([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C ChemAxon formula C25H34O8 ChemAxon inchi InChI=1S/C25H34O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h7,9,11,14-21,23,27-29H,3-6,8,10H2,1-2H3,(H,30,31)/t14-,15-,16-,17-,18-,19-,20+,21-,23+,24-,25-/m0/s1 ChemAxon inchikey WTOYIEKXMIILRQ-HMAFJQTKSA-N ChemAxon polar_surface_area 133.52 ChemAxon refractivity 117.8 ChemAxon polarizability 48.93 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 8 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 5 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon 57546409 71314191