107821 <common-name>6-Chloro-3,20-dioxopregn-4-en-17-yl acetate</common-name> <description>6-Chloro-3,20-dioxopregn-4-en-17-yl acetate (C23H31ClO4) is a compound with an average molecular weight of 406.95 g/mol. 6-Chloro-3,20-dioxopregn-4-en-17-yl acetate belongs to the pregnane steroids, a subclass of steroids and steroid derivatives within the organic compounds. This substance is found in or released from one recorded source: drinking water and water supply (drinking water). The recorded route of exposure for this compound is oral.</description> <cas nil="true"/> <pubchem-id>3477050</pubchem-id> <chemical-formula>C23H31ClO4</chemical-formula> <weight>406.9</weight> <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">2026-04-05T14:14:44Z</created-at> <updated-at type="dateTime">2026-08-22T01:34:18Z</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@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC([H])(Cl)C2=CC(=O)CC[C@]12C</moldb-smiles> <moldb-formula>C23H31ClO4</moldb-formula> <moldb-inchi>InChI=1S/C23H31ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11,16-18,20H,5-10,12H2,1-4H3/t16-,17+,18+,20?,21-,22+,23+/m1/s1</moldb-inchi> <moldb-inchikey>DCVGANSDLNPXGO-AJHUYUOWSA-N</moldb-inchikey> <moldb-average-mass type="decimal">406.95</moldb-average-mass> <moldb-mono-mass type="decimal">406.1910872</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.7</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>2718188</chemspider-id> <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>CHEM103714</chemdb-id> <dsstox-id>DTXSID70954748</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00073831</susdat-id> <iupac>6-Chloro-3,20-dioxopregn-4-en-17-yl acetate</iupac> <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>Pregnane steroids</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0092787</sync-id> <structure-inchikey>DCVGANSDLNPXGO-AJHUYUOWSA-N</structure-inchikey> <structure-fingerprint>1000000000000000000088000000000000000100000000000000000000020000000000000000020000000000000000000000000000000000000000100000000010040000010140000000000010200000020000000000100000200000000000000040000010010000040000000000000000000020000000000000000000000500010000048000000000000000000000040200000000000000000000000000021000800000004080000000000080000000000000800800000000800000000001000000000000000000000000000000000000010000010004000200000000000004200000000000000000040080000000400000000008010000000000000000000</structure-fingerprint> 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