<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">340136</id>
  <title nil="true"/>
  <common-name>S-(dimethylcarbamoyl) (6s,8s,9r,10s,11s,13s,14s,16r,17r)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioate</common-name>
  <description>S-(dimethylcarbamoyl) (6s,8s,9r,10s,11s,13s,14s,16r,17r)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioate is a chemical compound with the formula C24H31F2NO5S. It has an average molecular weight of 483.60 g/mol.</description>
  <cas>709002-84-6</cas>
  <pubchem-id>156597185</pubchem-id>
  <chemical-formula>C24H31F2NO5S</chemical-formula>
  <weight>483.6</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">2026-08-30T23:36:54Z</created-at>
  <updated-at type="dateTime">2026-08-30T23:36:54Z</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>CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)SC(=O)N(C)C)O)C)O)F)C)F</moldb-smiles>
  <moldb-formula>C24H31F2NO5S</moldb-formula>
  <moldb-inchi>InChI=1S/C24H31F2NO5S/c1-12-8-14-15-10-17(25)16-9-13(28)6-7-21(16,2)23(15,26)18(29)11-22(14,3)24(12,32)19(30)33-20(31)27(4)5/h6-7,9,12,14-15,17-18,29,32H,8,10-11H2,1-5H3/t12-,14+,15+,17+,18+,21+,22+,23+,24+/m1/s1</moldb-inchi>
  <moldb-inchikey>LGCLZZKZHOIDRN-CQRCZTONSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">483.1891006</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.5</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>CHEM336029</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>S-(dimethylcarbamoyl) (6s,8s,9r,10s,11s,13s,14s,16r,17r)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioate</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>Androstane steroids</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0290552</sync-id>
  <structure-inchikey>LGCLZZKZHOIDRN-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>200800000000000080000000800000000000000000000000000000000100000000000000020000000000000000000001000000000000000000000000000010000001000000000000100000000000020000001000000000000000008408000041000010001001000000100004000000000020000000001000000000000180000000048000000000000000000000020140000002000000000000000400020000800140000000000000000080000000000000800a00000000000000000000000000800000000000040400000000400000100000000000000000800000200010000000008000000080040000000400400800000000001000000000004200000</structure-fingerprint>
  <structure-pattern-fingerprint>7016c0508532866089d85b67c1b8b309d900143291c7a010803d60628a246a4cfc22105113b2042c81424d0ea0cd20600560032c428f327531ae6d39c2a0411ccf119c8c56941483889210401af322006804c58171611e37428445e240a25f8fce7865af106c322162ba8488ffb4004c3c869252a105e587315a2c71a2518907504c10394efca6280e1607d4c82c02ac391dca5645429eda50200ca072c447c543d790b321b3f7a20b06696a816cf5160ee12083a94908c218b04eb04cc07212a25152b4e4fe433b1dc0e4e6d795c2918c2d60b4032470318d7026062a008302d13c6d7418894534114ca401d116a1864e500634d0c2250f1b3893c8d6020e02</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAhAAAAJAAAAIABBgBgAAAAAQMGAGAAAAAD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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:40:28Z</structure-indexed-at>
</compound>
