{"Abbreviation":"EBA","Aliases":["Estradiol, MONO(3-oxohexanoate)","Estradiol 17-β-butyrylacetate","Estra-1,3,5(10)-triene-3,17-diol (17β)-, mono(3-oxohexanoate)","Estradiol, 17-(3-oxohexanoate)"],"CAS":"60883-80-9","ChemicalClasses":[],"Chirality":"absolute","EINECS":"247-791-0","EliminationHalfLife":"","Esters":[],"Formating":[],"HeavyAtomCount":28,"IUPACName":"[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 3-oxohexanoate","InChI":"InChI=1S/C24H32O4/c1-3-4-16(25)14-23(27)28-22-10-9-21-20-7-5-15-13-17(26)6-8-18(15)19(20)11-12-24(21,22)2/h6,8,13,19-22,26H,3-5,7,9-12,14H2,1-2H3/t19-,20-,21+,22+,24+/m1/s1","InChIKey":"LLWMXKOTHFASEO-NTYLBUJVSA-N","MolecularFormula":"C\u003csub\u003e24\u003c/sub\u003eH\u003csub\u003e32\u003c/sub\u003eO\u003csub\u003e4\u003c/sub\u003e","MolecularWeight":"384.5 g/mol","Opticalactivity":"UNSPECIFIED","PubChemId":91667672,"RefCount":3,"RefCur":"","References":[{"Name":"Wikipedia","Urls":[{"Link":"https://en.wikipedia.org/wiki/Estradiol_butyrylacetate","Name":"Estradiol butyrylacetate","Sub":false}]},{"Name":"Wikidata","Urls":[{"Link":"https://www.wikidata.org/wiki/Q24884490","Name":"Estradiol butyrylacetate","Sub":false}]},{"Name":"PubChem","Urls":[{"Link":"https://pubchem.ncbi.nlm.nih.gov/compound/91667672","Name":"Estradiol butyrylacetate","Sub":false}]},{"Name":"Common Chemistry","Urls":[{"Link":"https://commonchemistry.cas.org/detail?cas_rn=60883-80-9","Name":"Estradiol butyrylacetate","Sub":false}]},{"Name":"UNII","Urls":[{"Link":"https://gsrs.ncats.nih.gov/ginas/app/ui/substances/6ADI485E6C","Name":"Estradiol butyrylacetate","Sub":false}]},{"Name":"EPA DSSTox","Urls":[{"Link":"https://comptox.epa.gov/dashboard/chemical/details/DTXSID301046408","Name":"Estradiol butyrylacetate","Sub":false}]}],"Refs":["National Center for Biotechnology Information. PubChem Compound Summary for CID 91667672, Estradiol butyrylacetate. Accessed July 7, 2025. \u003ca href=https://pubchem.ncbi.nlm.nih.gov/compound/91667672\u003ehttps://pubchem.ncbi.nlm.nih.gov/compound/91667672\u003c/a\u003e","U.S. Food and Drug Administration; National Center for Advancing Translational Sciences. Estradiol butyrylacetate. UNII: 6ADI485E6C. Global Substance Registration System. Accessed July 7, 2025. \u003ca href=https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6ADI485E6C\u003ehttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/6ADI485E6C\u003c/a\u003e"],"SMILES":"CCCC(=O)CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)O)C","SaltData":[],"Salts":[],"Scheduling":[],"StereoisomerData":[],"Stereoisomers":["(+)-Estradiol butyrylacetate","(-)-Estradiol butyrylacetate"],"Structure":"\u003csvg  preserveAspectRatio=\"none\" style=\"display:block\" viewBox=\"0 0 165.351 122.06\"\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 0h166v123H0z\"/\u003e\u003cg class=\"mol\"\u003e\u003cpath d=\"m164.35 1.001-4.71 14.494M159.64 15.495l-14.907 3.168M144.733 18.663l-4.71 14.494\" 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0-.928-.387-1.452Q7.968 117 7.14 117q-.833 0-1.226.524t-.393 1.452M4.305 121.429h-.62v-2.286H1.173v2.286H.56v-4.9h.613v2.072h2.512v-2.072h.62z\"/\u003e\u003c/g\u003e\u003cpath stroke=\"#ff0d0d\" d=\"m109.128 53.217 5.639-1.198M10.403 117.086l4.96-2.865M10.403 117.086l4.96-2.865\" class=\"hi\"/\u003e\u003c/g\u003e\u003c/g\u003e\u003c/svg\u003e","Title":"Estradiol butyrylacetate","UNII":"6ADI485E6C","Wikidata":"Q24884490","Wikipedia":"Estradiol_butyrylacetate","XLogP":5.3}