1.0 2020-03-10 17:03:33 UTC 2020-04-22 18:56:57 UTC BMDB0096243 BMDB96243 Epiandrosterone sulfate (3beta,5alpha)-17-Oxoandrostan-3-yl hydrogen sulfate (3b,5a)-17-Oxoandrostan-3-yl hydrogen sulfate (3b,5a)-17-Oxoandrostan-3-yl hydrogen sulfuric acid (3b,5a)-17-Oxoandrostan-3-yl hydrogen sulphate (3b,5a)-17-Oxoandrostan-3-yl hydrogen sulphuric acid (3beta,5alpha)-17-Oxoandrostan-3-yl hydrogen sulfuric acid (3beta,5alpha)-17-Oxoandrostan-3-yl hydrogen sulphate (3beta,5alpha)-17-Oxoandrostan-3-yl hydrogen sulphuric acid (3Β,5α)-17-oxoandrostan-3-yl hydrogen sulfate (3Β,5α)-17-oxoandrostan-3-yl hydrogen sulfuric acid (3Β,5α)-17-oxoandrostan-3-yl hydrogen sulphate (3Β,5α)-17-oxoandrostan-3-yl hydrogen sulphuric acid Epiandrosterone sulfuric acid Epiandrosterone sulphate Epiandrosterone sulphuric acid 3β,5α)-3-(Sulfooxy)androstan-17-one 3β-Hydroxy-5α-androstan-17-one 3-sulfate 3β-Hydroxy-5α-androstan-17-one monosulfate 3β-Hydroxy-5α-androstan-17-one sulfate 3β-Sulfate-5α-androstan-17-one 3beta,5alpha)-3-(Sulfooxy)androstan-17-one 3beta-Hydroxy-5alpha-androstan-17-one 3-sulfate 3beta-Hydroxy-5alpha-androstan-17-one monosulfate 3beta-Hydroxy-5alpha-androstan-17-one sulfate 3beta-Sulfate-5alpha-androstan-17-one Epiandrosterone 3beta-sulfate Epi-Androsterone sulfate Epiandrosterone 3β-sulfate Epiandrosterone sulfate Isoandrosterone sulfate C19H30O5S 370.5 370.18139524 [(1S,2S,5S,7S,10R,11S,15S)-2,15-dimethyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl]oxidanesulfonic acid [(1S,2S,5S,7S,10R,11S,15S)-2,15-dimethyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl]oxidanesulfonic acid [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](CC[C@]12C)OS(O)(=O)=O InChI=1S/C19H30O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h12-16H,3-11H2,1-2H3,(H,21,22,23)/t12-,13-,14-,15-,16-,18-,19-/m0/s1 ZMITXKRGXGRMKS-LUJOEAJASA-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 17-oxosteroids Alkyl sulfates Androstane steroids Hydrocarbon derivatives Ketones Organic oxides Sulfuric acid monoesters 17-oxosteroid Aliphatic homopolycyclic compound Alkyl sulfate Androstane-skeleton Carbonyl group 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 17-oxo steroid androstanoid steroid sulfate logp 0.45 ALOGPS logs -4.89 ALOGPS logp 3.82 ChemAxon pka_strongest_acidic -1.3 ChemAxon pka_strongest_basic -7.5 ChemAxon iupac [(1S,2S,5S,7S,10R,11S,15S)-2,15-dimethyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl]oxidanesulfonic acid ChemAxon average_mass 370.5 ChemAxon mono_mass 370.18139524 ChemAxon smiles [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](CC[C@]12C)OS(O)(=O)=O ChemAxon formula C19H30O5S ChemAxon inchi InChI=1S/C19H30O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h12-16H,3-11H2,1-2H3,(H,21,22,23)/t12-,13-,14-,15-,16-,18-,19-/m0/s1 ChemAxon inchikey ZMITXKRGXGRMKS-LUJOEAJASA-N ChemAxon polar_surface_area 80.67 ChemAxon refractivity 93.8 ChemAxon polarizability 40.5 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 Specdb::CMs 34892 Specdb::CMs 146291 Specdb::NmrOneD 278438 Specdb::NmrOneD 278439 Specdb::NmrOneD 278440 Specdb::NmrOneD 278441 Specdb::NmrOneD 278442 Specdb::NmrOneD 278443 Specdb::NmrOneD 278444 Specdb::NmrOneD 278445 Specdb::NmrOneD 278446 Specdb::NmrOneD 278447 Specdb::NmrOneD 278448 Specdb::NmrOneD 278449 Specdb::NmrOneD 278450 Specdb::NmrOneD 278451 Specdb::NmrOneD 278452 Specdb::NmrOneD 278453 Specdb::NmrOneD 278454 Specdb::NmrOneD 278455 Specdb::NmrOneD 278456 Specdb::NmrOneD 278457 Specdb::MsMs 897646 Specdb::MsMs 897647 Specdb::MsMs 897648 Specdb::MsMs 941665 Specdb::MsMs 941666 Specdb::MsMs 941667 Specdb::MsMs 2406605 Specdb::MsMs 2406606 Specdb::MsMs 2406607 Specdb::MsMs 2531706 Specdb::MsMs 2531707 Specdb::MsMs 2531708 FDB034849 9929317 83040