<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">347315</id>
  <title nil="true"/>
  <common-name>(1r)-1-[(3s,8s,9s,10r,13s,14s,17s)-3-[2-(diethylamino)ethoxy]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethanol</common-name>
  <description>(1r)-1-[(3s,8s,9s,10r,13s,14s,17s)-3-[2-(diethylamino)ethoxy]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethanol is a compound with the formula C27H47NO2. It has an average molecular weight of 417.70 g/mol.</description>
  <cas>68710-60-1</cas>
  <pubchem-id>3052373</pubchem-id>
  <chemical-formula>C27H47NO2</chemical-formula>
  <weight>417.7</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">2026-08-31T11:02:28Z</created-at>
  <updated-at type="dateTime">2026-08-31T11:02:28Z</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>CCN(CC)CCOC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)O)C)C</moldb-smiles>
  <moldb-formula>C27H47NO2</moldb-formula>
  <moldb-inchi>InChI=1S/C27H47NO2/c1-6-28(7-2)16-17-30-21-12-14-26(4)20(18-21)8-9-22-24-11-10-23(19(3)29)27(24,5)15-13-25(22)26/h8,19,21-25,29H,6-7,9-18H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1</moldb-inchi>
  <moldb-inchikey>WKNRJHYKBLWKMI-DPAQBDIFSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">417.3606797</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.7</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>CHEM343208</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>(1r)-1-[(3s,8s,9s,10r,13s,14s,17s)-3-[2-(diethylamino)ethoxy]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethanol</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>CED0297660</sync-id>
  <structure-inchikey>WKNRJHYKBLWKMI-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>41848000000000000000800000400100000000000000000000000000110010100000001002000000000000000001000000000000040000100000000000000080010040000000200000000200000a00000000000000010100000000000000000000000800010001000000000000004000000000020800000000000000000000100000000048000000000000000000000000200000008800000000000000000420000000000006000000000000080000400000000000000000040000000000000000001000000000000000000000000000000000000000028000000000000004010000000000000000000040080000000000000001000000040000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ��������������������!���€���`�������`������� ������`�������`�������`�������`������� ������`�������`�������`������� ������`�������`�������`������� ������`�������`�������`�������h��������(�������`�������`�������`�������`�������`�������`�������`�������`�������`�������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:45:52Z</structure-indexed-at>
</compound>
