86398 <common-name>Androst-5-ene-(3ß,17ß)-diol 3-acetate 17-benzoate</common-name> <description>Androst-5-ene-(3ß,17ß)-diol 3-acetate 17-benzoate belongs to the steroid esters, a subclass of steroids and steroid derivatives within the organic compounds. It has the chemical formula C28H36O4 and an average molecular weight of 436.59 g/mol. This compound is classified under the superclass of lipids and lipid-like molecules.</description> <cas nil="true"/> <pubchem-id>288166</pubchem-id> <chemical-formula>C28H36O4</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">2026-04-04T21:32:17Z</created-at> <updated-at type="dateTime">2026-04-04T21:32:17Z</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>CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)OC(=O)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C28H36O4</moldb-formula> <moldb-inchi>InChI=1/C28H36O4/c1-18(29)31-21-13-15-27(2)20(17-21)9-10-22-23-11-12-25(28(23,3)16-14-24(22)27)32-26(30)19-7-5-4-6-8-19/h4-9,21-25H,10-17H2,1-3H3</moldb-inchi> <moldb-inchikey>JVRUDYNTKOCRNP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">436.592</moldb-average-mass> <moldb-mono-mass type="decimal">436.2613596</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>CHEM082291</chemdb-id> <dsstox-id>DTXSID00974939</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00046729</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>CED0130916</sync-id> <structure-inchikey>JVRUDYNTKOCRNP-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>1008000000000000000000000400100000040004000000000000000010000400000000000000000000000008000000004000000000000000000000000000080014040000000200000000202000200000020000000000100000000000000000000000000010000000000020000000000000000020000000000000000000000500010000048000000800000000200000000200000000100200000000000000420000000000006000000000000084000400000000000000000040000000000000000000000000000000000400000000000000000000000028000000200000004030000000000000000000040080000000400000001000000004000000800000000</structure-fingerprint> 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