<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">277065</id>
  <title nil="true"/>
  <common-name>[[(z,12r)-12-hydroxyoctadec-9-enoyl]oxy-dioctylstannyl] (z,12r)-12-hydroxyoctadec-9-enoate</common-name>
  <description>[[(z,12r)-12-hydroxyoctadec-9-enoyl]oxy-dioctylstannyl] (z,12r)-12-hydroxyoctadec-9-enoate belongs to the fatty acids and conjugates, a subclass of fatty acyls within the organic compounds. It is categorized under the superclass of lipids and lipid-like molecules and has the formula C52H100O6Sn. With an average molecular weight of 940.10 g/mol, [[(z,12r)-12-hydroxyoctadec-9-enoyl]oxy-dioctylstannyl] (z,12r)-12-hydroxyoctadec-9-enoate is a heavy molecule.</description>
  <cas>61467-81-0</cas>
  <pubchem-id>16684494</pubchem-id>
  <chemical-formula>C52H100O6Sn</chemical-formula>
  <weight>940.1</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">2026-08-26T16:53:03Z</created-at>
  <updated-at type="dateTime">2026-08-26T16:53:03Z</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>CCCCCCCC[Sn](CCCCCCCC)(OC(=O)CCCCCCCC=CCC(CCCCCC)O)OC(=O)CCCCCCCC=CCC(CCCCCC)O</moldb-smiles>
  <moldb-formula>C52H100O6Sn</moldb-formula>
  <moldb-inchi>InChI=1S/2C18H34O3.2C8H17.Sn/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;2*1-3-5-7-8-6-4-2;/h2*9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);2*1,3-8H2,2H3;/q;;;;+2/p-2/b2*12-9-;;;/t2*17-;;;/m11.../s1</moldb-inchi>
  <moldb-inchikey>BJEVDDTWPUPCPC-WSYPVFPHSA-L</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">940.654193</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <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>CHEM272958</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>[[(z,12r)-12-hydroxyoctadec-9-enoyl]oxy-dioctylstannyl] (z,12r)-12-hydroxyoctadec-9-enoate</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>Fatty Acyls</klass>
  <subklass>Fatty acids and conjugates</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0229248</sync-id>
  <structure-inchikey>BJEVDDTWPUPCPC-UHFFFAOYSA-L</structure-inchikey>
  <structure-fingerprint>40000000000000020000800000000000000000000000000000000000100000000000000002400000000000000000000000004000000000000000000000000020000000000400000000010000001000000020000000000300000000001000000001000020010000000000000000000000000000080000000000000000000000000000000040000000000000000000010004000000080000000000000000001000100000000008000000080000002001000000000088000040000000000000000000000008000000000000000000008020000000000000000000000010000000008000000000000000000000000000810400000000000000000000000000000200</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAA7AAAAOgAAAIABBgBgAAAAAQMGAGAAAAAC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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:52:47Z</structure-indexed-at>
</compound>
