45445 <common-name>17ß-hydroxy-1a-methyl-5-aandrostan-3-one acetate</common-name> <description nil="true"/> <cas>4062-46-8</cas> <pubchem-id>107497</pubchem-id> <chemical-formula>C22H34O3</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">2016-06-03T12:05:34Z</created-at> <updated-at type="dateTime">2026-03-27T01:54:38Z</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@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])CC(=O)C[C@]([H])(C)[C@]4(C)[C@@]3([H])CC[C@]12C)OC(C)=O</moldb-smiles> <moldb-formula>C22H34O3</moldb-formula> <moldb-inchi>InChI=1S/C22H34O3/c1-13-11-16(24)12-15-5-6-17-18-7-8-20(25-14(2)23)21(18,3)10-9-19(17)22(13,15)4/h13,15,17-20H,5-12H2,1-4H3/t13-,15-,17-,18-,19-,20-,21-,22-/m0/s1</moldb-inchi> <moldb-inchikey>ZWCXCOXAEJHAHA-FVFBOZGUSA-N</moldb-inchikey> <moldb-average-mass type="decimal">346.511</moldb-average-mass> <moldb-mono-mass type="decimal">346.250794955</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>96728</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>CHEM044340</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00006088</stoff-ident-id> <susdat-id>NS00007903</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>43.370000000000005</moldb-polar-surface-area> <moldb-refractivity>97.30319999999995</moldb-refractivity> <moldb-polarizability>40.897613088176286</moldb-polarizability> <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-6.844632660313014</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp>4.20</moldb-alogps-logp> <moldb-alogps-logs>-5.62</moldb-alogps-logs> <moldb-alogps-solubility>8.27e-04 g/l</moldb-alogps-solubility> </compound>