<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-08-31 21:40:23 UTC</creation_date>
  <update_date>2026-08-31 21:40:23 UTC</update_date>
  <accession/>
  <common_name>Hexadecyl (z,12r)-12-acetyloxyoctadec-9-enoate</common_name>
  <class>SmallMolecule</class>
  <description>Hexadecyl (z,12r)-12-acetyloxyoctadec-9-enoate is a chemical compound with the formula C36H68O4. With an average molecular weight of 564.90 g/mol, Hexadecyl (z,12r)-12-acetyloxyoctadec-9-enoate is a heavy molecule.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C36H68O4</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight>564.5117607</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>111129-38-5</cas_registry_number>
  <smiles>CCCCCCCCCCCCCCCCOC(=O)CCCCCCCC=CCC(CCCCCC)OC(=O)C</smiles>
  <inchi>InChI=1S/C36H68O4/c1-4-6-8-10-11-12-13-14-15-16-19-22-25-29-33-39-36(38)32-28-24-21-18-17-20-23-27-31-35(40-34(3)37)30-26-9-7-5-2/h23,27,35H,4-22,24-26,28-33H2,1-3H3/b27-23-/t35-/m1/s1</inchi>
  <inchikey>RGNVKHVOMYVFJE-JCZPVMMZSA-N</inchikey>
  <taxonomy>
    <kingdom/>
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    <class/>
    <sub_class/>
    <direct_parent/>
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    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>14.4</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>mono_mass</kind>
      <value>564.5117607</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCCCCCCCCCCCCCCCOC(=O)CCCCCCCC=CCC(CCCCCC)OC(=O)C</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C36H68O4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C36H68O4/c1-4-6-8-10-11-12-13-14-15-16-19-22-25-29-33-39-36(38)32-28-24-21-18-17-20-23-27-31-35(40-34(3)37)30-26-9-7-5-2/h23,27,35H,4-22,24-26,28-33H2,1-3H3/b27-23-/t35-/m1/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>RGNVKHVOMYVFJE-JCZPVMMZSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
  <toxicity/>
  <lethaldose/>
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  <use_source/>
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  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bbfcb37a0&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>91864476</pubchem_compound_id>
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  <wikipidia/>
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