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<compound>
  <id type="integer">93767</id>
  <title nil="true"/>
  <common-name>9-Bromo-6ß-fluoro-11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate)</common-name>
  <description>9-Bromo-6ß-fluoro-11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate) belongs to the pregnane steroids, a subclass of steroids and steroid derivatives within the organic compounds. It is categorized under the superclass of lipids and lipid-like molecules and has the formula C25H30BrFO7. With an average molecular weight of 573.41 g/mol, 9-Bromo-6ß-fluoro-11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate) is a heavy molecule.</description>
  <cas>60864-40-6</cas>
  <pubchem-id>20841879</pubchem-id>
  <chemical-formula>C25H30BrFO7</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">2026-04-05T02:18:52Z</created-at>
  <updated-at type="dateTime">2026-04-05T02:18:52Z</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(O)(CC(O)=O)C(=O)C1(CC(O)=O)CC([H])(O)[C@@]2([H])[C@]3([H])C[C@@]([H])(F)C4=CC(=O)C=C[C@]4(C)C3(Br)[C@@]([H])(O)C[C@]12C</moldb-smiles>
  <moldb-formula>C25H30BrFO7</moldb-formula>
  <moldb-inchi>InChI=1/C25H30BrFO7/c1-13(28)33-12-21(32)24(34-14(2)29)8-6-16-17-10-19(27)18-9-15(30)5-7-22(18,3)25(17,26)20(31)11-23(16,24)4/h5,7,9,16-17,19-20,31H,6,8,10-12H2,1-4H3</moldb-inchi>
  <moldb-inchikey>KYISBKWLCVBYCW-CYBFZDFUSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">573.408</moldb-average-mass>
  <moldb-mono-mass type="decimal">540.1158936</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
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  <structure-image-content-type nil="true"/>
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  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM089660</chemdb-id>
  <dsstox-id>DTXSID40976331</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00055415</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>Pregnane steroids</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0105057</sync-id>
  <structure-inchikey>YSJNVVDOPLDUBF-HIGXOGFFSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T04:35:21Z</structure-indexed-at>
</compound>
