94046 <common-name>2-Chloro-6ß,9-difluoro-11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate)</common-name> <description>2-Chloro-6ß,9-difluoro-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 classified as a lipid and lipid-like molecule with the formula C25H29ClF2O7. With an average molecular weight of 514.95 g/mol, 2-Chloro-6ß,9-difluoro-11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate) is a heavy molecule.</description> <cas>59047-08-4</cas> <pubchem-id>100934</pubchem-id> <chemical-formula>C25H29ClF2O7</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">2026-04-05T02:29:14Z</created-at> <updated-at type="dateTime">2026-04-05T02:29:14Z</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(=O)COC(C)=O)[C@@]1(C)C[C@]([H])(O)[C@@]1(F)[C@@]2([H])C[C@@]([H])(F)C2=CC(=O)C(Cl)=C[C@]12C</moldb-smiles> <moldb-formula>C25H29ClF2O7</moldb-formula> <moldb-inchi>InChI=1/C25H29ClF2O7/c1-12(29)34-11-21(33)24(35-13(2)30)6-5-14-15-7-18(27)16-8-19(31)17(26)9-23(16,4)25(15,28)20(32)10-22(14,24)3/h8-9,14-15,18,20,32H,5-7,10-11H2,1-4H3</moldb-inchi> <moldb-inchikey>UMRUFBVWHMUYIH-HKXOFBAYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">514.95</moldb-average-mass> <moldb-mono-mass type="decimal">514.1569874</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>CHEM089939</chemdb-id> <dsstox-id>DTXSID90974504</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00055768</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>CED0115905</sync-id> <structure-inchikey>UMRUFBVWHMUYIH-HKXOFBAYSA-N</structure-inchikey> <structure-fingerprint>200800000000000880000000000002010100000200800000000000000100000800000000020000000000000000000001000000000000000000000040000010040000000440000000000000000010820000001010100000200000018408000040000010000000002000000000000000000020200000000000000000000500010000048000000000000000000002040200000000000000000000000400020000800000004000000000000080000000000000800000000000000000000000000004000000000000000400000000000000010000000000000000000000200010000000008000000080040000000000400800000000011000004080100000000</structure-fingerprint> 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