21955 <common-name>Dehydropregnenolone acetate</common-name> <description nil="true"/> <cas>979-02-2</cas> <pubchem-id nil="true"/> <chemical-formula>C23H32O3</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">2016-05-22T07:29:51Z</created-at> <updated-at type="dateTime">2026-04-05T17:46:13Z</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(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@]([H])(CC[C@]12C)OC(C)=O</moldb-smiles> <moldb-formula>C23H32O3</moldb-formula> <moldb-inchi>InChI=1S/C23H32O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,7,17-18,20-21H,6,8-13H2,1-4H3/t17-,18-,20-,21-,22-,23+/m0/s1</moldb-inchi> <moldb-inchikey>MZWRIOUCMXPLKV-RFOVXIPZSA-N</moldb-inchikey> <moldb-average-mass type="decimal">356.506</moldb-average-mass> <moldb-mono-mass type="decimal">356.23514489</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>CHEM020850</chemdb-id> <dsstox-id>DTXSID8057857</dsstox-id> <toxcast-id>57857</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00079881</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>43.370000000000005</moldb-polar-surface-area> <moldb-refractivity>103.78409999999997</moldb-refractivity> <moldb-polarizability>42.083978899117916</moldb-polarizability> <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>19.657376294874368</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-4.916173197586016</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp>4.88</moldb-alogps-logp> <moldb-alogps-logs>-5.02</moldb-alogps-logs> <moldb-alogps-solubility>3.40e-03 g/l</moldb-alogps-solubility> </compound>