{"Abbreviation":"EPP","Aliases":["Estradiol-17-phenylpropionate","Estradiol 17-hydrocinnamate","Estradiol, 17-hydrocinnamate","Hydrocinnamic acid, 17-ester with estradiol","Estra-1,3,5(10)-triene-3,17β-diol 17-benzenepropionate","Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-benzenepropanoate","Estra-1,3,5(10)-triene-3,17β-diol 17-(benzenepropionate)","Nci60_002142"],"CAS":"26443-03-8","ChEBI":"CHEBI:34746","ChEMBL":"CHEMBL1974118","ChemicalClasses":[],"Chirality":"absolute","EINECS":"247-690-1","EliminationHalfLife":"","Esters":[],"European Community (EC) Number":"247-690-1","Formating":[],"HeavyAtomCount":30,"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-phenylpropanoate","InChI":"InChI=1S/C27H32O3/c1-27-16-15-22-21-11-9-20(28)17-19(21)8-10-23(22)24(27)12-13-25(27)30-26(29)14-7-18-5-3-2-4-6-18/h2-6,9,11,17,22-25,28H,7-8,10,12-16H2,1H3/t22-,23-,24+,25+,27+/m1/s1","InChIKey":"LQWSQQKTZLDGME-RYIFMDQWSA-N","MolecularFormula":"C\u003csub\u003e27\u003c/sub\u003eH\u003csub\u003e32\u003c/sub\u003eO\u003csub\u003e3\u003c/sub\u003e","MolecularWeight":"404.5 g/mol","Opticalactivity":"UNSPECIFIED","PD":"PD161132","PubChemId":68577,"RefCount":3,"RefCur":"","References":[{"Name":"Wikipedia","Urls":[{"Link":"https://en.wikipedia.org/wiki/Estradiol_phenylpropionate","Name":"Estradiol phenylpropionate","Sub":false}]},{"Name":"Wikidata","Urls":[{"Link":"https://www.wikidata.org/wiki/Q24897936","Name":"Estradiol phenylpropionate","Sub":false}]},{"Name":"PubChem","Urls":[{"Link":"https://pubchem.ncbi.nlm.nih.gov/compound/68577","Name":"Estradiol phenylpropionate","Sub":false}]},{"Name":"ChEMBL","Urls":[{"Link":"https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1974118","Name":"Estradiol phenylpropionate","Sub":false}]},{"Name":"ChEBI","Urls":[{"Link":"https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34746","Name":"Estradiol phenylpropionate","Sub":false}]},{"Name":"Probes \u0026 Drugs","Urls":[{"Link":"https://www.probes-drugs.org/compound/PD161132","Name":"Estradiol phenylpropionate","Sub":false}]},{"Name":"Common Chemistry","Urls":[{"Link":"https://commonchemistry.cas.org/detail?cas_rn=26443-03-8","Name":"Estradiol phenylpropionate","Sub":false}]},{"Name":"KEGG","Urls":[{"Link":"https://www.kegg.jp/entry/C14645","Name":"Estradiol phenylpropionate","Sub":false}]},{"Name":"UNII","Urls":[{"Link":"https://gsrs.ncats.nih.gov/ginas/app/ui/substances/LS956OGN6U","Name":"Estradiol phenylpropionate","Sub":false}]},{"Name":"EPA DSSTox","Urls":[{"Link":"https://comptox.epa.gov/dashboard/chemical/details/DTXSID00181040","Name":"Estradiol phenylpropionate","Sub":false}]}],"Refs":["National Center for Biotechnology Information. PubChem Compound Summary for CID 68577, Estradiol phenylpropionate. Accessed July 7, 2025. \u003ca href=https://pubchem.ncbi.nlm.nih.gov/compound/68577\u003ehttps://pubchem.ncbi.nlm.nih.gov/compound/68577\u003c/a\u003e","U.S. Food and Drug Administration; National Center for Advancing Translational Sciences. Estradiol phenylpropionate. UNII: LS956OGN6U. Global Substance Registration System. Accessed July 7, 2025. \u003ca href=https://gsrs.ncats.nih.gov/ginas/app/beta/substances/LS956OGN6U\u003ehttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/LS956OGN6U\u003c/a\u003e"],"SMILES":"C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC4=CC=CC=C4)CCC5=C3C=CC(=C5)O","SaltData":[],"Salts":[],"Scheduling":[],"StereoisomerData":[],"Stereoisomers":["(+)-Estradiol phenylpropionate","(-)-Estradiol phenylpropionate"],"Structure":"\u003csvg  preserveAspectRatio=\"none\" style=\"display:block\" viewBox=\"0 0 165.413 133.439\"\u003e\u003crect width=\"100%\" height=\"100%\" fill=\"#fff\"/\u003e\u003cdesc\u003eGenerated by the Chemistry Development Kit (http://github.com/cdk)\u003c/desc\u003e\u003cg stroke=\"#000\" stroke-linecap=\"round\" stroke-linejoin=\"round\" stroke-width=\".7\"\u003e\u003cpath fill=\"#fff\" stroke=\"none\" d=\"M0 0h166v134H0z\"/\u003e\u003cg class=\"mol\"\u003e\u003cpath stroke=\"none\" d=\"m85.913 84.6.696.073 3.331-14.975-2.089-.219-2.089-.219z\" class=\"bond\"/\u003e\u003cpath d=\"m86.261 84.636-13.107-7.62M73.154 77.016l-13.208 7.62\" class=\"bond\"/\u003e\u003cpath stroke=\"none\" d=\"M59.596 99.876h.7l1.9-16.942-2.25 1.298-1.969 1.136z\" class=\"bond\"/\u003e\u003cpath d=\"m59.946 99.876 13.208 7.62M73.154 107.496l13.107-7.62M86.261 84.636v15.24\" class=\"bond\"/\u003e\u003cpath stroke=\"none\" d=\"m86.368 99.543-.214.666 13.733 6.177 1.253-1.723 1.352-1.858z\" class=\"bond\"/\u003e\u003cpath d=\"m100.79 104.55 8.94-12.294M109.73 92.256l-8.94-12.395M86.261 84.636l14.529-4.775\" class=\"bond\"/\u003e\u003cpath stroke=\"none\" d=\"m100.457 79.753.666.216 4.694-10.277-1.558-.507-1.559-.506z\" class=\"bond\"/\u003e\u003cpath d=\"m109.128 64.596 11.278-2.397\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m120.841 60.86 8.007 8.893M119.029 62.491l8.007 8.893\"/\u003e\u003cpath stroke=\"#ff0d0d\" d=\"m128.848 69.753-4.003-4.447M127.036 71.384l-4.004-4.446\" class=\"hi\"/\u003e\u003c/g\u003e\u003cpath d=\"m120.406 62.199 4.71-14.494M125.116 47.705l14.907-3.169M140.023 44.536l4.71-14.494\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m134.526 18.714 10.207 11.328M137.281 18.128l8.322 9.237\"/\u003e\u003c/g\u003e\u003cpath d=\"m134.526 18.714 4.71-14.494\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"M154.152 1.054 139.236 4.22M153.282 3.732 141.12 6.313\"/\u003e\u003c/g\u003e\u003cpath d=\"m154.152 1.054 10.207 11.329\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m159.649 26.877 4.71-14.494M157.765 24.784l3.84-11.815\"/\u003e\u003c/g\u003e\u003cpath d=\"m144.733 30.042 14.916-3.165\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m72.851 107.671.607-.35M72.599 110.357l1.111-.642M72.346 113.043l1.617-.933M72.093 115.728l2.123-1.224M71.841 118.414l2.627-1.516M71.588 121.1l3.133-1.808M71.335 123.786l3.639-2.099\"/\u003e\u003c/g\u003e\u003cpath d=\"m73.154 122.736-13.208 7.62M59.946 130.356l-13.208-7.62\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"M46.738 122.736v-15.24M44.3 121.328v-12.424\"/\u003e\u003c/g\u003e\u003cpath d=\"m59.946 99.876-13.208 7.62M46.738 107.496l-13.208-7.62\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m33.53 99.876-13.208 7.62M33.53 102.691l-10.769 6.213\"/\u003e\u003c/g\u003e\u003cpath d=\"M20.322 107.496v15.24\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m20.322 122.736 13.208 7.62M22.761 121.328l10.769 6.213\"/\u003e\u003c/g\u003e\u003cpath d=\"m46.738 122.736-13.208 7.62M20.322 122.736l-9.919 5.729\" class=\"bond\"/\u003e\u003cpath fill=\"#ff0d0d\" stroke=\"none\" d=\"M107.759 65.364q0 .756-.256 1.327-.256.566-.756.882-.501.315-1.245.315-.756 0-1.262-.315-.506-.316-.756-.888-.244-.571-.244-1.333 0-.75.244-1.31.25-.565.756-.881.506-.315 1.274-.315.732 0 1.233.315.5.31.756.875.256.566.256 1.328m-3.864 0q0 .923.387 1.458.393.53 1.22.53.84 0 1.221-.53.387-.535.387-1.458 0-.929-.387-1.453-.381-.524-1.209-.524-.833 0-1.226.524t-.393 1.453M132.863 73.521q0 .756-.256 1.328-.256.565-.756.881t-1.244.316q-.756 0-1.262-.316t-.756-.887q-.245-.572-.245-1.334 0-.75.245-1.309.25-.566.756-.881t1.274-.316q.732 0 1.232.316.5.309.756.875.256.565.256 1.327m-3.864 0q0 .923.387 1.459.393.53 1.221.53.839 0 1.22-.53.387-.536.387-1.459 0-.928-.387-1.452-.381-.524-1.208-.524-.834 0-1.227.524t-.393 1.452\" class=\"atom\"/\u003e\u003cg fill=\"#ff0d0d\" stroke=\"none\" class=\"atom\"\u003e\u003cpath d=\"M9.385 130.355q0 .756-.256 1.328-.256.565-.756.881-.5.315-1.245.315-.756 0-1.262-.315-.506-.316-.756-.887-.244-.572-.244-1.334 0-.75.244-1.309.25-.566.756-.881t1.274-.316q.733 0 1.233.316.5.309.756.875.256.565.256 1.327m-3.864 0q0 .923.387 1.459.393.53 1.22.53.84 0 1.221-.53.387-.536.387-1.459 0-.928-.387-1.452-.381-.524-1.209-.524-.833 0-1.226.524t-.393 1.452M4.305 132.808h-.62v-2.286H1.173v2.286H.56v-4.9h.613v2.072h2.512v-2.072h.62z\"/\u003e\u003c/g\u003e\u003cpath stroke=\"#ff0d0d\" d=\"m109.128 64.596 5.639-1.198M10.403 128.465l4.96-2.864M10.403 128.465l4.96-2.864\" class=\"hi\"/\u003e\u003c/g\u003e\u003c/g\u003e\u003c/svg\u003e","Title":"Estradiol phenylpropionate","UNII":"LS956OGN6U","Wikidata":"Q24897936","Wikipedia":"Estradiol_phenylpropionate","XLogP":6.5}