1.0 2019-08-07 19:55:37 UTC 2020-04-06 23:39:26 UTC FDB034849 Epiandrosterone 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. Sulfated steroids Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Sulfated steroids Aliphatic homopolycyclic compounds 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 17-oxo steroid androstanoid steroid sulfate logp 0.45 ALOGPS logs -4.89 ALOGPS solubility 4.81e-03 g/l 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 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 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823