{"Abbreviation":"EHHB","Aliases":["Estradiol, 17-cyclohexanecarboxylate","Cyclohexanecarboxylic acid, 17-ester with estradiol","Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-cyclohexanecarboxylate","239-202-0","benzogynestryl","(8R,9S,13S,14S,17S)-3-Hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl cyclohexanecarboxylate","Estra-1,3,5(10)-triene-3,17β-diol 17-cyclohexanecarboxylate","CS-0446981","17β-Estra-1,3,5(10)-triene-3,17-diol 17-cyclohexanecarboxylate","Estra-1,3,5(10)-triene-3,17-diol (17|A)-, 17-cyclohexanecarboxylate","(8R,9S,13S,14S,17S)-3-Hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ylcyclohexanecarboxylate"],"CAS":"15140-27-9","ChemicalClasses":[],"Chirality":"absolute","EINECS":"239-202-0","EliminationHalfLife":"","Esters":[],"European Community (EC) Number":"239-202-0","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] cyclohexanecarboxylate","InChI":"InChI=1S/C25H34O3/c1-25-14-13-20-19-10-8-18(26)15-17(19)7-9-21(20)22(25)11-12-23(25)28-24(27)16-5-3-2-4-6-16/h8,10,15-16,20-23,26H,2-7,9,11-14H2,1H3/t20-,21-,22+,23+,25+/m1/s1","InChIKey":"IVRCALGRJCHPRV-BZDYCCQFSA-N","MolecularFormula":"C\u003csub\u003e25\u003c/sub\u003eH\u003csub\u003e34\u003c/sub\u003eO\u003csub\u003e3\u003c/sub\u003e","MolecularWeight":"382.5 g/mol","Opticalactivity":"UNSPECIFIED","PubChemId":21116138,"RefCount":3,"RefCur":"","References":[{"Name":"Wikipedia","Urls":[{"Link":"https://en.wikipedia.org/wiki/Estradiol_hexahydrobenzoate","Name":"Estradiol hexahydrobenzoate","Sub":false}]},{"Name":"Wikidata","Urls":[{"Link":"https://www.wikidata.org/wiki/Q27276403","Name":"Estradiol hexahydrobenzoate","Sub":false}]},{"Name":"PubChem","Urls":[{"Link":"https://pubchem.ncbi.nlm.nih.gov/compound/21116138","Name":"Estradiol hexahydrobenzoate","Sub":false}]},{"Name":"Common Chemistry","Urls":[{"Link":"https://commonchemistry.cas.org/detail?cas_rn=15140-27-9","Name":"Estradiol hexahydrobenzoate","Sub":false}]},{"Name":"UNII","Urls":[{"Link":"https://gsrs.ncats.nih.gov/ginas/app/ui/substances/DI3496530P","Name":"Estradiol hexahydrobenzoate","Sub":false}]},{"Name":"EPA DSSTox","Urls":[{"Link":"https://comptox.epa.gov/dashboard/chemical/details/DTXSID80934253","Name":"Estradiol hexahydrobenzoate","Sub":false}]}],"Refs":["National Center for Biotechnology Information. PubChem Compound Summary for CID 21116138, Estradiol hexahydrobenzoate. Accessed July 7, 2025. \u003ca href=https://pubchem.ncbi.nlm.nih.gov/compound/21116138\u003ehttps://pubchem.ncbi.nlm.nih.gov/compound/21116138\u003c/a\u003e","U.S. Food and Drug Administration; National Center for Advancing Translational Sciences. Estradiol hexahydrobenzoate. UNII: DI3496530P. Global Substance Registration System. Accessed July 7, 2025. \u003ca href=https://gsrs.ncats.nih.gov/ginas/app/beta/substances/DI3496530P\u003ehttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/DI3496530P\u003c/a\u003e"],"SMILES":"C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)C4CCCCC4)CCC5=C3C=CC(=C5)O","SaltData":[],"Salts":[],"Scheduling":[],"StereoisomerData":[],"Stereoisomers":["(+)-Estradiol hexahydrobenzoate","(-)-Estradiol hexahydrobenzoate"],"Structure":"\u003csvg  preserveAspectRatio=\"none\" style=\"display:block\" viewBox=\"0 0 145.72 115.715\"\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 0h146v116H0z\"/\u003e\u003cg class=\"mol\"\u003e\u003cpath stroke=\"none\" d=\"m85.869 66.901.696.073 3.33-14.966-2.089-.219-2.089-.219z\" class=\"bond\"/\u003e\u003cpath d=\"m86.217 66.937-13.099-7.616M73.118 59.321l-13.201 7.616\" class=\"bond\"/\u003e\u003cpath stroke=\"none\" d=\"M59.567 82.169h.7l1.899-16.934-2.249 1.298-1.97 1.136z\" class=\"bond\"/\u003e\u003cpath d=\"m59.917 82.169 13.201 7.616M73.118 89.785l13.099-7.616M86.217 66.937v15.232\" class=\"bond\"/\u003e\u003cpath stroke=\"none\" d=\"m86.324 81.836-.214.666 13.725 6.174 1.253-1.723 1.352-1.858z\" class=\"bond\"/\u003e\u003cpath d=\"m100.738 86.84 8.935-12.287M109.673 74.553l-8.935-12.388M86.217 66.937l14.521-4.772\" class=\"bond\"/\u003e\u003cpath stroke=\"none\" d=\"m100.405 62.057.666.216 4.692-10.269-1.559-.507-1.559-.506z\" class=\"bond\"/\u003e\u003cpath d=\"m109.074 46.907 11.269-2.395\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m120.779 43.173 8.001 8.887M118.966 44.805l8.002 8.887\"/\u003e\u003cpath stroke=\"#ff0d0d\" d=\"m128.78 52.06-4.001-4.443M126.968 53.692l-4.001-4.444\" class=\"hi\"/\u003e\u003c/g\u003e\u003cpath d=\"m120.343 44.512 4.708-14.486M125.051 30.026 114.85 18.704M114.85 18.704l4.707-14.486M119.557 4.218l14.908-3.164M134.465 1.054l10.201 11.323M144.666 12.377l-4.707 14.486M125.051 30.026l14.908-3.163\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m72.815 89.959.606-.349M72.562 92.644l1.112-.642M72.309 95.328l1.617-.933M72.057 98.013l2.122-1.225M71.804 100.697l2.628-1.516M71.551 103.381l3.133-1.807M71.299 106.066l3.638-2.099\"/\u003e\u003c/g\u003e\u003cpath d=\"m73.118 105.016-13.201 7.616M59.917 112.632l-13.201-7.616\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"M46.716 105.016V89.785M44.278 103.608V91.193\"/\u003e\u003c/g\u003e\u003cpath d=\"m59.917 82.169-13.201 7.616M46.716 89.785l-13.2-7.616\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m33.516 82.169-13.201 7.616M33.516 84.984l-10.763 6.209\"/\u003e\u003c/g\u003e\u003cpath d=\"M20.315 89.785v15.231\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m20.315 105.016 13.201 7.616M22.753 103.608l10.763 6.209\"/\u003e\u003c/g\u003e\u003cpath d=\"m46.716 105.016-13.2 7.616M20.315 105.016l-9.912 5.725\" class=\"bond\"/\u003e\u003cpath fill=\"#ff0d0d\" stroke=\"none\" d=\"M107.704 47.676q0 .756-.256 1.327-.256.566-.756.881t-1.244.316q-.756 0-1.262-.316-.506-.315-.756-.887-.244-.571-.244-1.333 0-.75.244-1.31.25-.565.756-.881.506-.315 1.274-.315.732 0 1.232.315.5.31.756.875.256.566.256 1.328m-3.864 0q0 .922.387 1.458.393.53 1.221.53.839 0 1.22-.53.387-.536.387-1.458 0-.929-.387-1.453-.381-.524-1.208-.524-.834 0-1.227.524t-.393 1.453M132.794 55.829q0 .756-.256 1.327-.256.566-.756.881t-1.244.316q-.756 0-1.262-.316-.506-.315-.756-.887-.244-.571-.244-1.333 0-.75.244-1.31.25-.565.756-.881.506-.315 1.274-.315.732 0 1.232.315.5.31.756.875.256.566.256 1.328m-3.863 0q0 .922.387 1.458.393.53 1.22.53.84 0 1.221-.53.386-.536.386-1.458 0-.929-.386-1.453-.381-.524-1.209-.524-.833 0-1.226.524t-.393 1.453\" class=\"atom\"/\u003e\u003cg fill=\"#ff0d0d\" stroke=\"none\" class=\"atom\"\u003e\u003cpath d=\"M9.385 112.631q0 .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-.75.244-1.31.25-.565.756-.881.506-.315 1.274-.315.733 0 1.233.315.5.31.756.875.256.566.256 1.328m-3.864 0q0 .923.387 1.459.393.529 1.22.529.84 0 1.221-.529.387-.536.387-1.459 0-.929-.387-1.453-.381-.523-1.209-.523-.833 0-1.226.523-.393.524-.393 1.453M4.305 115.084h-.62v-2.286H1.173v2.286H.56v-4.9h.613v2.072h2.512v-2.072h.62z\"/\u003e\u003c/g\u003e\u003cpath stroke=\"#ff0d0d\" d=\"m109.074 46.907 5.635-1.198M10.403 110.741l4.956-2.862M10.403 110.741l4.956-2.862\" class=\"hi\"/\u003e\u003c/g\u003e\u003c/g\u003e\u003c/svg\u003e","Title":"Estradiol hexahydrobenzoate","UNII":"DI3496530P","Wikidata":"Q27276403","Wikipedia":"Estradiol_hexahydrobenzoate","XLogP":6.7}