{"Abbreviation":"","Aliases":["Estrosteron","Etrosteron","Estra-1,3,5(10)-triene-3,17-diol (17β)-, di-10-undecenoate","Estra-1,3,5(10)-triene-3,17β-diol di-10-undecenoate","estra-1,3,5(10)-triene-3,17 β-diol di-10-undecenoate","Estra-1(10),2,4-triene-3,17-diyl diundec-10-enoate"],"CAS":"74798-17-7","ChemicalClasses":[],"Chirality":"absolute","EliminationHalfLife":"","Esters":[],"Formating":[],"HeavyAtomCount":44,"IUPACName":"[(8R,9S,13S,14S,17S)-13-methyl-3-undec-10-enoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undec-10-enoate","InChI":"InChI=1S/C40H60O4/c1-4-6-8-10-12-14-16-18-20-38(41)43-32-23-25-33-31(30-32)22-24-35-34(33)28-29-40(3)36(35)26-27-37(40)44-39(42)21-19-17-15-13-11-9-7-5-2/h4-5,23,25,30,34-37H,1-2,6-22,24,26-29H2,3H3/t34-,35-,36+,37+,40+/m1/s1","InChIKey":"LVJFPCSLAMHGAU-OBRFQGJBSA-N","MolecularFormula":"C\u003csub\u003e40\u003c/sub\u003eH\u003csub\u003e60\u003c/sub\u003eO\u003csub\u003e4\u003c/sub\u003e","MolecularWeight":"604.9 g/mol","Opticalactivity":"UNSPECIFIED","PubChemId":126479,"RefCount":3,"RefCur":"","References":[{"Name":"Wikipedia","Urls":[{"Link":"https://en.wikipedia.org/wiki/Estradiol_diundecylenate","Name":"Estradiol diundecylenate","Sub":false}]},{"Name":"Wikidata","Urls":[{"Link":"https://www.wikidata.org/wiki/Q28209292","Name":"Estradiol diundecylenate","Sub":false}]},{"Name":"PubChem","Urls":[{"Link":"https://pubchem.ncbi.nlm.nih.gov/compound/126479","Name":"Estradiol diundecylenate","Sub":false}]},{"Name":"Common Chemistry","Urls":[{"Link":"https://commonchemistry.cas.org/detail?cas_rn=74798-17-7","Name":"Estradiol diundecylenate","Sub":false}]},{"Name":"UNII","Urls":[{"Link":"https://gsrs.ncats.nih.gov/ginas/app/ui/substances/68XRU2GP58","Name":"Estradiol diundecylenate","Sub":false}]},{"Name":"EPA DSSTox","Urls":[{"Link":"https://comptox.epa.gov/dashboard/chemical/details/DTXSID70996325","Name":"Estradiol diundecylenate","Sub":false}]}],"Refs":["National Center for Biotechnology Information. PubChem Compound Summary for CID 126479, Estradiol diundecylenate. Accessed July 7, 2025. \u003ca href=https://pubchem.ncbi.nlm.nih.gov/compound/126479\u003ehttps://pubchem.ncbi.nlm.nih.gov/compound/126479\u003c/a\u003e","U.S. Food and Drug Administration; National Center for Advancing Translational Sciences. Estradiol diundecylenate. UNII: 68XRU2GP58. Global Substance Registration System. Accessed July 7, 2025. \u003ca href=https://gsrs.ncats.nih.gov/ginas/app/beta/substances/68XRU2GP58\u003ehttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/68XRU2GP58\u003c/a\u003e"],"SMILES":"C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCCCCCCCC=C)CCC4=C3C=CC(=C4)OC(=O)CCCCCCCCC=C","SaltData":[],"Salts":[],"Scheduling":[],"StereoisomerData":[],"Stereoisomers":["(+)-Estradiol diundecylenate","(-)-Estradiol diundecylenate"],"Structure":"\u003csvg  preserveAspectRatio=\"none\" style=\"display:block\" viewBox=\"0 0 279.858 287.907\"\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 0h280v288H0z\"/\u003e\u003cg class=\"mol\"\u003e\u003cpath stroke=\"none\" d=\"m145.798 111.687.697.073 3.33-14.974-2.088-.219-2.089-.219z\" class=\"bond\"/\u003e\u003cpath d=\"m146.146 111.724-13.106-7.62M133.04 104.104l-13.208 7.62\" class=\"bond\"/\u003e\u003cpath stroke=\"none\" d=\"M119.482 126.964h.7l1.899-16.942-2.249 1.298-1.97 1.136z\" class=\"bond\"/\u003e\u003cpath d=\"m119.832 126.964 13.208 7.62M133.04 134.584l13.106-7.62M146.146 111.724v15.24\" class=\"bond\"/\u003e\u003cpath stroke=\"none\" d=\"m146.254 126.631-.215.666 13.734 6.176 1.253-1.723 1.351-1.858z\" class=\"bond\"/\u003e\u003cpath d=\"m160.675 131.638 8.941-12.294M169.616 119.344l-8.941-12.395M146.146 111.724l14.529-4.775\" class=\"bond\"/\u003e\u003cpath stroke=\"none\" d=\"m160.342 106.841.666.216 4.695-10.277-1.559-.507-1.559-.506z\" class=\"bond\"/\u003e\u003cpath d=\"m169.014 91.683 11.278-2.397\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m180.727 87.948 8.007 8.892M178.915 89.579l8.007 8.893\"/\u003e\u003cpath stroke=\"#ff0d0d\" d=\"m188.734 96.84-4.003-4.446M186.922 98.472l-4.004-4.447\" class=\"hi\"/\u003e\u003c/g\u003e\u003cpath d=\"m180.292 89.286 4.71-14.494M185.002 74.792l14.907-3.168M199.909 71.624l4.709-14.494M204.618 57.13l14.908-3.168M219.526 53.962l4.709-14.494M224.235 39.468l14.907-3.168M239.142 36.3l4.71-14.494M243.852 21.806l14.907-3.169M258.759 18.637l4.71-14.494\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"M263.469 4.143 278.376.975M265.353 6.236l13.53-2.876\"/\u003e\u003c/g\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m132.737 134.759.606-.35M132.484 137.445l1.112-.642M132.231 140.13l1.618-.933M131.979 142.816l2.122-1.224M131.726 145.502l2.628-1.516M131.473 148.188l3.134-1.808M131.221 150.873l3.638-2.099\"/\u003e\u003c/g\u003e\u003cpath d=\"m133.04 149.824-13.208 7.62M119.832 157.444l-13.208-7.62\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"M106.624 149.824v-15.24M104.186 148.416v-12.424\"/\u003e\u003c/g\u003e\u003cpath d=\"m119.832 126.964-13.208 7.62M106.624 134.584l-13.208-7.62\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m93.416 126.964-13.208 7.62M93.416 129.779l-10.77 6.213\"/\u003e\u003c/g\u003e\u003cpath d=\"M80.208 134.584v15.24\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m80.208 149.824 13.208 7.62M82.646 148.416l10.77 6.213\"/\u003e\u003c/g\u003e\u003cpath d=\"m106.624 149.824-13.208 7.62M80.208 149.824l-9.919 5.729M67.012 161.367l.001 11.319\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m67.013 171.278 10.525 6.075M65.794 173.39l10.525 6.074\"/\u003e\u003cpath stroke=\"#ff0d0d\" d=\"m77.538 177.353-5.263-3.038M76.319 179.464l-5.263-3.037\" class=\"hi\"/\u003e\u003c/g\u003e\u003cpath d=\"m67.013 172.686-13.197 7.622M53.816 180.308l.003 15.24M53.819 195.548l-13.197 7.622M40.622 203.17l.002 15.24M40.624 218.41l-13.197 7.622M27.427 226.032l.003 15.24M27.43 241.272l-13.197 7.622M14.233 248.894l.002 15.24M14.235 264.134l-13.197 7.623\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m1.038 271.757.003 15.24M3.477 273.164l.002 13.832\"/\u003e\u003c/g\u003e\u003cpath fill=\"#ff0d0d\" stroke=\"none\" d=\"M167.644 92.452q0 .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 1.458.392.53 1.22.53.839 0 1.22-.53.387-.536.387-1.458 0-.929-.387-1.453-.381-.524-1.208-.524-.834 0-1.227.524-.392.524-.392 1.453M192.749 100.609q0 .756-.256 1.328-.256.565-.757.881-.5.315-1.244.315-.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.732 0 1.232.316.501.309.757.875.256.565.256 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 1.452M69.27 157.443q0 .756-.256 1.328-.256.565-.756.881-.5.315-1.244.315-.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-.315.732 0 1.232.315.5.31.756.876.256.565.256 1.327m-3.863 0q0 .923.387 1.459.393.529 1.22.529.839 0 1.22-.529.387-.536.387-1.459 0-.929-.387-1.453-.381-.523-1.208-.523-.834 0-1.226.523-.393.524-.393 1.453M82.472 180.301q0 .756-.256 1.327-.256.566-.756.882-.5.315-1.244.315-.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-.315.732 0 1.232.315.5.31.756.875.256.566.256 1.328m-3.863 0q0 .923.386 1.458.393.53 1.221.53.839 0 1.22-.53.387-.535.387-1.458 0-.929-.387-1.453-.381-.524-1.208-.524-.834 0-1.227.524-.392.524-.392 1.453\" class=\"atom\"/\u003e\u003cpath stroke=\"#ff0d0d\" d=\"m169.014 91.683 5.639-1.199M70.289 155.553l4.96-2.864M67.012 161.367l.001 5.659\" class=\"hi\"/\u003e\u003c/g\u003e\u003c/g\u003e\u003c/svg\u003e","Title":"Estradiol diundecylenate","UNII":"68XRU2GP58","Wikidata":"Q28209292","Wikipedia":"Estradiol_diundecylenate","XLogP":11.6}