81806 <common-name>21-Hydroxypregn-4-ene-3,11,20-trione</common-name> <description>21-Hydroxypregn-4-ene-3,11,20-trione belongs to the hydroxysteroids, a subclass of steroids and steroid derivatives within the organic compounds. It is classified under the superclass of lipids and lipid-like molecules. The compound has the formula C21H28O4 and an average molecular weight of 344.45 g/mol.</description> <cas>72-23-1</cas> <pubchem-id>5311364</pubchem-id> <chemical-formula>C21H28O4</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">2026-04-04T18:29:13Z</created-at> <updated-at type="dateTime">2026-04-04T18:29:13Z</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@H](C(=O)CO)[C@@]1(C)CC(=O)C1[C@@]2([H])CCC2=CC(=O)CC[C@]12C</moldb-smiles> <moldb-formula>C21H28O4</moldb-formula> <moldb-inchi>InChI=1/C21H28O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-16,19,22H,3-8,10-11H2,1-2H3</moldb-inchi> <moldb-inchikey>FUFLCEKSBBHCMO-KJQYFISQSA-N</moldb-inchikey> <moldb-average-mass type="decimal">344.451</moldb-average-mass> <moldb-mono-mass type="decimal">344.1987594</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>CHEM077699</chemdb-id> <dsstox-id>DTXSID40861617</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00041133</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>Hydroxysteroids</subklass> <paper-count type="integer">12</paper-count> <sync-id>CED0033936</sync-id> <structure-inchikey>FUFLCEKSBBHCMO-NJYVEZAUSA-N</structure-inchikey> <structure-fingerprint>20000000898000400080000000000000020000000002000020000000000000000020000000000000200000000080000000000000000100020081010000000000200001000000000200000020000000000000000000000000000000000000010000000040000000000000000000020008000000000000000000100000000048000000000000000000000000200104000000001000000000000020020001010004000000000000080000000000000000000000040000000000000000000000000100000000000000000000800000010000000000200000000000000000000000000000000040080000000400000000000000000000000000040000</structure-fingerprint> 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