<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">118309</id>
  <title nil="true"/>
  <common-name>3,14,16-Trihydroxy-19-oxocard-20(22)-enolide (Adonitoxigenin)</common-name>
  <description>3,14,16-Trihydroxy-19-oxocard-20(22)-enolide (Adonitoxigenin) belongs to the steroid lactones, a subclass of steroids and steroid derivatives within the organic compounds. This compound has the chemical formula $\text{C}_{23}\text{H}_{32}\text{O}_6$ and an average molecular weight of 404.50 g/mol.

The compound is found in or released from 13 recorded sources across multiple sectors. Within electrical and electronic equipment, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. It is present in textiles, leather and furnishings, specifically within synthetic textiles as well as carpets and rugs. Other identified sources include food packaging from the food, food processing and cookware sector, and medical devices from the healthcare, pharmaceuticals and veterinary products sector. Additionally, it is found in lubricants used in both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector, as well as one more sector. Recorded exposure routes for this substance include inhalation, oral, and touch.</description>
  <cas>468-17-7</cas>
  <pubchem-id>15558376</pubchem-id>
  <chemical-formula>C23H32O6</chemical-formula>
  <weight nil="true"/>
  <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">2026-04-06T01:20:36Z</created-at>
  <updated-at type="dateTime">2026-05-21T00:33:34Z</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>[H][C@]1(O)C[C@]2(O)C3([H])CC[C@]4([H])C[C@@]([H])(O)CC[C@]4(C=O)C3([H])CC[C@]2(C)[C@@]1([H])C1=CC(=O)OC1</moldb-smiles>
  <moldb-formula>C23H32O6</moldb-formula>
  <moldb-inchi>InChI=1S/C23H32O6/c1-21-6-5-16-17(3-2-14-9-15(25)4-7-22(14,16)12-24)23(21,28)10-18(26)20(21)13-8-19(27)29-11-13/h8,12,14-18,20,25-26,28H,2-7,9-11H2,1H3/t14-,15+,16?,17?,18+,20+,21-,22-,23+/m1/s1</moldb-inchi>
  <moldb-inchikey>IMQSXGFUSQSPIM-QLNVYLSKSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">404.503</moldb-average-mass>
  <moldb-mono-mass type="decimal">404.2198887</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>21865420</chemspider-id>
  <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>CHEM114202</chemdb-id>
  <dsstox-id>DTXSID00963661</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00093746</susdat-id>
  <iupac>(8xi,9xi,17R)-3beta,14,16-Trihydroxy-19-oxo-5beta-card-20(22)-enolide</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">0</paper-count>
  <sync-id>CED0089092</sync-id>
  <structure-inchikey>IMQSXGFUSQSPIM-QLNVYLSKSA-N</structure-inchikey>
  <structure-fingerprint>200000000000004000000800000420000000040000000000000000000000000000000000000000600000000000000000000000000000004000000000000001000100c0000010200000020000400000000020800001200200000002000000000001000000011000000020400000000000000000020000000000000000000880100000002048000000000400000800000020200004000800000000000000400020000800000004000000000000180000000000000800000000000000000004080000000000000000000000000000000000000000000000000000000000000000000000008004000000001040000000000000000000000000080000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>7016411085328e6089585b67c1a8b3085900141291072010803d60428a24484c7c22001013a4000c814a410a80c00040056002ac409f321135ae6579c2a0411ccf118c8c1294140300921060127223006844d58151611e3742044d6240225b85cc78452f104c322060aa8480ddb40048308682528115e586110a2c70a2510906504410294efca608080603d0c82c0288391d8a5244429ed250240c2062c480c511d190b221b2d32a0306496a816c35140ec10083a94108c018b04a900cc00212a20110a4c4d602331980e4a6d71502810c0d6030032470208d5026062a00830291386d741889413011048401d116a0860e50063490c2050f13081108d6120a42</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAdAAAAIQAAAIABBiA0AAAAAQEECABgAAAA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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:44:00Z</structure-indexed-at>
</compound>
