92250 <common-name>Estra-1,3,5(10)-triene-3,17ß-diol 17-(cyclooctaneacetate)</common-name> <description>Estra-1,3,5(10)-triene-3,17ß-diol 17-(cyclooctaneacetate) belongs to the steroid esters, a subclass of steroids and steroid derivatives within the organic compounds. It is classified under the superclass of lipids and lipid-like molecules. This compound has the formula C28H40O3 and an average molecular weight of 424.62 g/mol.</description> <cas>66791-46-6</cas> <pubchem-id>67083</pubchem-id> <chemical-formula>C28H40O3</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-05T01:19:46Z</created-at> <updated-at type="dateTime">2026-04-05T01:19:46Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(O)=CC=C4[C@@]3([H])CC[C@]12C)OC(=O)CC1CCCCCCC1</moldb-smiles> <moldb-formula>C28H40O3</moldb-formula> <moldb-inchi>InChI=1/C28H40O3/c1-28-16-15-23-22-12-10-21(29)18-20(22)9-11-24(23)25(28)13-14-26(28)31-27(30)17-19-7-5-3-2-4-6-8-19/h10,12,18-19,23-26,29H,2-9,11,13-17H2,1H3</moldb-inchi> <moldb-inchikey>CZCGBAHDFURTGU-VMBLQBCYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">424.625</moldb-average-mass> <moldb-mono-mass type="decimal">424.2977451</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM088143</chemdb-id> <dsstox-id>DTXSID10985354</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00053644</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Lipids and lipid-like molecules</superklass> <klass>Steroids and steroid derivatives</klass> <subklass>Steroid esters</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0113989</sync-id> <structure-inchikey>CZCGBAHDFURTGU-VMBLQBCYSA-N</structure-inchikey> <structure-fingerprint>20000004000000000000800000400000000000000000010000000001000000400000000000000000000000000000000400000080000000000100000008000000010000000000600000000000000200000020000000000100004000000040000000000000010001000000000000100020000000020000000000000000000800101801000048004000000000000200020000200000000000200000080000000020000000004004000000000000082000000000000000000000040000000000000000000000040000002000400000000008000000000004000000200200000000020000000000000000000040000000000400000001000000000000000000000000</structure-fingerprint> 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