{"Abbreviation":"E2S","Aliases":["Estradiol-3-sulfate","Estradiol 3-sulphate","Estradiol-17β 3-sulfate","17β-estradiol 3-sulfate","estra-1,3,5(10)-triene-3,17β-diol 3-sulfate","β-estradiol 3-sulfate","Estradiol 3-sulfate","bEDOs","3,17β-dihydroxy-1,3,5[10]-estratriene 3-sulfate","((8R,9s,13s,14s,17s)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta(a)phenanthren-3-yl) hydrogen sulfate","β-estradiol-3-sulfate","β-Estradiol 3-sulphate","17β-Estradiol 3-sulfate sodium salt","C08357","17.β.-Estradiol 3-sulfate-","17β-Estradiol sulfate","Lmst05020005","17β-Estradiol 3-sulfate","Estradiol, 3-(hydrogen sulfate)","1,3,5[10]-Estratriene-3,17β-diol 3-sulphate","1,3,5[10]-Estratriene-3, 17β-diol 3-sulfate-","3,17β-dihydroxy-1,3,5[10]-estratriene 3-sulphate","17-Hydroxyestra-1(10),2,4-trien-3-yl hydrogen sulfate","Estradiol metabolite","17β-hydroxyestra-1(10),2,4-trien-3-yl hydrogen sulfate"],"CAS":"481-96-9","ChEBI":"CHEBI:4866","ChEMBL":"CHEMBL1628111","ChemicalClasses":[],"Chirality":"absolute","Esters":[],"Formating":[],"HMDB ID":"HMDB0004448","HeavyAtomCount":24,"IUPACName":"[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate","InChI":"InChI=1S/C18H24O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-17,19H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,17+,18+/m1/s1","InChIKey":"QZIGLSSUDXBTLJ-ZBRFXRBCSA-N","Melting Point":"178.5 °C","MolecularFormula":"C\u003csub\u003e18\u003c/sub\u003eH\u003csub\u003e24\u003c/sub\u003eO\u003csub\u003e5\u003c/sub\u003eS","MolecularWeight":"352.4 g/mol","Opticalactivity":"UNSPECIFIED","Physical Description":"Solid","PubChemId":66416,"RefCount":3,"RefCur":"","References":[{"Name":"Wikipedia","Urls":[{"Link":"https://en.wikipedia.org/wiki/Estradiol sulfate","Name":"Estradiol sulfate","Sub":false}]},{"Name":"Wikidata","Urls":[{"Link":"https://www.wikidata.org/wiki/Q24887704","Name":"Estradiol sulfate","Sub":false}]},{"Name":"PubChem","Urls":[{"Link":"https://pubchem.ncbi.nlm.nih.gov/compound/66416","Name":"Estradiol sulfate","Sub":false}]},{"Name":"ChEMBL","Urls":[{"Link":"https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1628111","Name":"Estradiol sulfate","Sub":false}]},{"Name":"ChEBI","Urls":[{"Link":"https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:4866","Name":"Estradiol sulfate","Sub":false}]},{"Name":"Common Chemistry","Urls":[{"Link":"https://commonchemistry.cas.org/detail?cas_rn=481-96-9","Name":"Estradiol sulfate","Sub":false}]},{"Name":"HMDB","Urls":[{"Link":"https://hmdb.ca/metabolites/HMDB0004448","Name":"Estradiol sulfate","Sub":false}]},{"Name":"KEGG","Urls":[{"Link":"https://www.kegg.jp/entry/C08357","Name":"Estradiol sulfate","Sub":false}]},{"Name":"UNII","Urls":[{"Link":"https://gsrs.ncats.nih.gov/ginas/app/ui/substances/4NKQ3751P6","Name":"Estradiol sulfate","Sub":false}]},{"Name":"EPA DSSTox","Urls":[{"Link":"https://comptox.epa.gov/dashboard/chemical/details/DTXSID30964000","Name":"Estradiol sulfate","Sub":false}]}],"Refs":["National Center for Biotechnology Information. PubChem Compound Summary for CID 66416, Estradiol sulfate. Accessed July 7, 2025. \u003ca href=https://pubchem.ncbi.nlm.nih.gov/compound/66416\u003ehttps://pubchem.ncbi.nlm.nih.gov/compound/66416\u003c/a\u003e","U.S. Food and Drug Administration; National Center for Advancing Translational Sciences. Estradiol sulfate. UNII: 4NKQ3751P6. Global Substance Registration System. Accessed July 7, 2025. \u003ca href=https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4NKQ3751P6\u003ehttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/4NKQ3751P6\u003c/a\u003e"],"SMILES":"C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OS(=O)(=O)O","SaltData":[{"AcidCount":1,"AmineCount":0,"Formula":"[Na+]","Name":"sodium","Structure":null,"Title":"Estradiol sulfate sodium","UNII":"WM8TR56GZ0"}],"Salts":["sodium"],"Solubility":"3.6 mg/L at 27 °C","StereoisomerData":[],"Stereoisomers":["(+)-Estradiol sulfate","(-)-Estradiol sulfate"],"Structure":"\u003csvg  preserveAspectRatio=\"none\" style=\"display:block\" viewBox=\"0 0 134.717 76.735\"\u003e\u003crect width=\"100%\" height=\"100%\" fill=\"#fff\"/\u003e\u003cdesc\u003eGenerated by the Chemistry Development Kit (http://github.com/cdk)\u003c/desc\u003e\u003cg fill=\"#ff0d0d\" stroke=\"#000\" stroke-linecap=\"round\" stroke-linejoin=\"round\" stroke-width=\".7\"\u003e\u003cpath fill=\"#fff\" stroke=\"none\" d=\"M0 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class=\"hi\"/\u003e\u003c/g\u003e\u003c/g\u003e\u003c/svg\u003e","Title":"Estradiol sulfate","UNII":"4NKQ3751P6","Wikidata":"Q24887704","Wikipedia":"Estradiol sulfate","XLogP":2.1}