<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-08-31 12:58:08 UTC</creation_date>
  <update_date>2026-08-31 12:58:08 UTC</update_date>
  <accession/>
  <common_name>1-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)hexadecan-1-one</common_name>
  <class>SmallMolecule</class>
  <description>1-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)hexadecan-1-one is a chemical compound with the formula C28H46O3. It has an average molecular weight of 430.70 g/mol.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C28H46O3</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight>430.3446953</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>1224874-11-6</cas_registry_number>
  <smiles>CCCCCCCCCCCCCCCC(=O)C1=C(C=C2C(=C1)CCC(O2)(C)C)OC</smiles>
  <inchi>InChI=1S/C28H46O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(29)24-21-23-19-20-28(2,3)31-26(23)22-27(24)30-4/h21-22H,5-20H2,1-4H3</inchi>
  <inchikey>JPHRNERQGZBBPQ-UHFFFAOYSA-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/>
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  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>9.9</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>mono_mass</kind>
      <value>430.3446953</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCCCCCCCCCCCCCCC(=O)C1=C(C=C2C(=C1)CCC(O2)(C)C)OC</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C28H46O3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C28H46O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(29)24-21-23-19-20-28(2,3)31-26(23)22-27(24)30-4/h21-22H,5-20H2,1-4H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>JPHRNERQGZBBPQ-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <lethaldose/>
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  <use_source/>
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  <symptoms/>
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  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>66721789</pubchem_compound_id>
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