<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">332180</id>
  <title nil="true"/>
  <common-name>[(8r,9s,13s,14s,16s)-3-acetyloxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-16-yl] acetate</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>12961989</pubchem-id>
  <chemical-formula>C22H26O5</chemical-formula>
  <weight>370.4</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">2026-08-30T13:19:40Z</created-at>
  <updated-at type="dateTime">2026-08-30T13:19:40Z</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)OC1CC2C3CCC4=C(C3CCC2(C1=O)C)C=CC(=C4)OC(=O)C</moldb-smiles>
  <moldb-formula>C22H26O5</moldb-formula>
  <moldb-inchi>InChI=1S/C22H26O5/c1-12(23)26-15-5-7-16-14(10-15)4-6-18-17(16)8-9-22(3)19(18)11-20(21(22)25)27-13(2)24/h5,7,10,17-20H,4,6,8-9,11H2,1-3H3/t17-,18-,19+,20+,22+/m1/s1</moldb-inchi>
  <moldb-inchikey>QZQSENRWYLQIPC-KOVVAJLHSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">370.1780239</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.3</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>CHEM328073</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,13s,14s,16s)-3-acetyloxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-16-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>CED0282703</sync-id>
  <structure-inchikey>QZQSENRWYLQIPC-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>200000000000000000000000000000000080000000000000000000000000000202000000000000000000000800000000001000000000000100140000000100000000000000002000000200000000001010042000000000000000000000100010000000000001000000000000200000000000000000000005010110000480040000000000002000200002000000000000000000c0000000020000800004004000004000000080000000000000000000000080000000000000000000000000000000000000000000008000000000000004840200200000100000000000000000000002040080000000400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������(�������(�������(�������`�������`�������`�������`�������`�������`������@(������@(�������`�������`�������`������� ������(�������(�������`������@h�������@h�������@(������@h��������(�������(�������(�������`�����������(��� ����������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:34:28Z</structure-indexed-at>
</compound>
