337061 <common-name>2-[2-[(8s,9s,10r,13s,14s,17r)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl]sulfanylacetic acid</common-name> <description>2-[2-[(8s,9s,10r,13s,14s,17r)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl]sulfanylacetic acid is a compound with the formula C23H30O6S. It has an average molecular weight of 434.50 g/mol.</description> <cas>114223-07-3</cas> <pubchem-id>13989640</pubchem-id> <chemical-formula>C23H30O6S</chemical-formula> <weight>434.5</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">2026-08-30T19:46:05Z</created-at> <updated-at type="dateTime">2026-08-30T19:46:05Z</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>CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4(C(=O)CSCC(=O)O)O)C</moldb-smiles> <moldb-formula>C23H30O6S</moldb-formula> <moldb-inchi>InChI=1S/C23H30O6S/c1-21-7-5-14(24)9-13(21)3-4-15-16-6-8-23(29,18(26)11-30-12-19(27)28)22(16,2)10-17(25)20(15)21/h9,15-16,20,29H,3-8,10-12H2,1-2H3,(H,27,28)/t15-,16-,20+,21-,22-,23-/m0/s1</moldb-inchi> <moldb-inchikey>IWKCRBDVDSOWKC-RVVAPLPOSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">434.1763099</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.8</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>CHEM332954</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>2-[2-[(8s,9s,10r,13s,14s,17r)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl]sulfanylacetic acid</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>Pregnane steroids</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0287509</sync-id> <structure-inchikey>IWKCRBDVDSOWKC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000898000000900000000000000020000000000000020000000000000000020000000000000200004000080000400000000000100000080010040000000000000000000000200000020000000000000000000000000000000000000010000000040000000001000000000020008004000000000000000100000000048000000000000000000000020200004000000001000000000000020020000110004000000000000080000000008000800000000000000000000001000000000000100000800000000000000000000010000000000600000200000000000000000000000000040080000000400000000010008000004000010000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAeAAAAIQAAAIABBgBgAAAAAQMGACAAAAAE BgBgAAAAAgIGAGAAAAACAgYAKAAAAAMECAAoAAAAAwIGAGgAAAADAwEGACgA AAADBAYAYAAAAAICBgBgAAAAAgIGAGAAAAADAQYAYAAAAAMBBgAoAAAAAwQI ACgAAAADAgYAYAAAAAICBgAgAAAABAYAYAAAAAMBBgBgAAAAAgIGAGAAAAAC AgYAIAAAAAQGACgAAAADBAgAKAAAAAMCBgBgAAAAAgIQACAAAAACBgBgAAAA AgIGACgAAAADBAgAKAAAAAMCCABoAAAAAwEBCABgAAAAAQEGAGAAAAABAwsA AQABAgACAwADBAAEBSgCBAYgBgcoAgcIAAgJAAkKAAoLAAsMAAwNCAIMDgAO DwAPEAAQEQAREgASEwATFAAUFQgCFBYAFhcAFxgAGBkAGRooAhkbIBMcAA8d AAcBAAsBABAKABMPAEIEAAAABgIDBAYHAQYICQoLAQcGDA4PEAoLBREQDxMS FwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:38:17Z</structure-indexed-at> </compound>