345531 <common-name>[(2s,3s,5s,10s,13s)-10,13-dimethyl-2-(1-methylpyrrolidin-1-ium-1-yl)-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate</common-name> <description>[(2s,3s,5s,10s,13s)-10,13-dimethyl-2-(1-methylpyrrolidin-1-ium-1-yl)-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate is a compound with the formula C26H42NO3+. It has an average molecular weight of 416.60 g/mol.</description> <cas nil="true"/> <pubchem-id>3038044</pubchem-id> <chemical-formula>C26H42NO3+</chemical-formula> <weight>416.6</weight> <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">2026-08-31T08:22:56Z</created-at> <updated-at type="dateTime">2026-08-31T08:22:56Z</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>CC(=O)OC1CC2CCC3C4CCC(=O)C4(CCC3C2(CC1[N+]5(CCCC5)C)C)C</moldb-smiles> <moldb-formula>C26H42NO3+</moldb-formula> <moldb-inchi>InChI=1S/C26H42NO3/c1-17(28)30-23-15-18-7-8-19-20-9-10-24(29)25(20,2)12-11-21(19)26(18,3)16-22(23)27(4)13-5-6-14-27/h18-23H,5-16H2,1-4H3/q+1/t18-,19?,20?,21?,22-,23-,25-,26-/m0/s1</moldb-inchi> <moldb-inchikey>JHIZNZPCYRQMLI-FLGLGBLRSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">416.3164692</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.5</logp> <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>CHEM341424</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>[(2s,3s,5s,10s,13s)-10,13-dimethyl-2-(1-methylpyrrolidin-1-ium-1-yl)-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate</iupac> <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>Steroid esters</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0295888</sync-id> <structure-inchikey>JHIZNZPCYRQMLI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>10000000000000400000000004000400000000000000010000000000001000000000000000000200000000000000000000000000020000000000000000000100160c0000000000000000000000200000020000001000100000000000000020000000002010000000000000000000000000000020000000000000000000000500810000048000000010000000200000000200000000000000000000000000020000800000004000048000000080000000000000000000020040008000000000000000000000000010000000200020080000000020000000000204000000000000001000000000001000000080000000500000000000000080000000000000000</structure-fingerprint> 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