45521 <common-name>17-hydroxy-19-norpregn-4-ene-3,20-dione 17-acetate</common-name> <description nil="true"/> <cas>31981-44-9</cas> <pubchem-id>134963</pubchem-id> <chemical-formula>C22H30O4</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">2016-06-03T12:13:05Z</created-at> <updated-at type="dateTime">2026-03-26T21:32:38Z</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@@]3([H])CCC(=O)C=C3CC[C@@]21[H]</moldb-smiles> <moldb-formula>C22H30O4</moldb-formula> <moldb-inchi>InChI=1S/C22H30O4/c1-13(23)22(26-14(2)24)11-9-20-19-6-4-15-12-16(25)5-7-17(15)18(19)8-10-21(20,22)3/h12,17-20H,4-11H2,1-3H3/t17-,18+,19+,20-,21-,22-/m0/s1</moldb-inchi> <moldb-inchikey>MTSLFKWJINJVBO-ZCPXKWAGSA-N</moldb-inchikey> <moldb-average-mass type="decimal">358.478</moldb-average-mass> <moldb-mono-mass type="decimal">358.214409446</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>118930</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>CHEM044416</chemdb-id> <dsstox-id>DTXSID90953874</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00006312</stoff-ident-id> <susdat-id>NS00003690</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>60.44</moldb-polar-surface-area> <moldb-refractivity>98.78169999999996</moldb-refractivity> <moldb-polarizability>40.33579536625268</moldb-polarizability> <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>17.81463569543591</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-4.725737252318361</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp>2.86</moldb-alogps-logp> <moldb-alogps-logs>-4.69</moldb-alogps-logs> <moldb-alogps-solubility>7.30e-03 g/l</moldb-alogps-solubility> </compound>