<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">337280</id>
  <title nil="true"/>
  <common-name>(8r,9s,10r,13s,14s,17r)-10,13-dimethyl-7-methylsulfonylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione</common-name>
  <description>(8r,9s,10r,13s,14s,17r)-10,13-dimethyl-7-methylsulfonylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione is a chemical compound with the formula C23H32O5S. It has an average molecular weight of 420.60 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>122196586</pubchem-id>
  <chemical-formula>C23H32O5S</chemical-formula>
  <weight>420.6</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">2026-08-30T20:04:43Z</created-at>
  <updated-at type="dateTime">2026-08-30T20:04:43Z</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=C1CC(C3C2CCC4(C3CCC45CCC(=O)O5)C)S(=O)(=O)C</moldb-smiles>
  <moldb-formula>C23H32O5S</moldb-formula>
  <moldb-inchi>InChI=1S/C23H32O5S/c1-21-8-4-15(24)12-14(21)13-18(29(3,26)27)20-16(21)5-9-22(2)17(20)6-10-23(22)11-7-19(25)28-23/h12,16-18,20H,4-11,13H2,1-3H3/t16-,17-,18?,20+,21-,22-,23+/m0/s1</moldb-inchi>
  <moldb-inchikey>BMMQQKJCVORDCC-XKJYKICNSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">420.1970453</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.9</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>CHEM333173</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>(8r,9s,10r,13s,14s,17r)-10,13-dimethyl-7-methylsulfonylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione</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 lactones</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0287721</sync-id>
  <structure-inchikey>BMMQQKJCVORDCC-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>8000000000000000088000000000000000000000400000000000010020000000000000000020000000020000000000000000000000020000000100080080010040000010000000000000000000000020800000000800000000000000000000000000000000004040020000000000000000020000000000200040000201100000000048000000000000000020000000200000000000000000000000000420220000000004000000000000090000000000000800000000088000000000000000000000000000000000000000000000000000000000040000200000000000000000000000000400000440080000000000000400000000000800000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAdAAAAIQAAAIABBgBgAAAAAQMGACAAAAAE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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:38:26Z</structure-indexed-at>
</compound>
