<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-09-22 07:58:27 UTC</creation_date>
  <update_date>2026-09-22 07:59:01 UTC</update_date>
  <accession>FDB117927</accession>
  <name>Sigmosceptrellin B</name>
  <description/>
  <synonyms>
    <synonym>(2R)-2-[6-[2-[(1S,2R,4aR)-2,4a-dimethyl-5-methylene-decalin-1-yl]ethyl]-6-methyl-dioxan-3-yl]propanoic acid</synonym>
    <synonym>(2R)-2-[6-[2-[(1S,2R,4aR)-2,4a-dimethyl-5-methylidene-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl]ethyl]-6-methyldioxan-3-yl]propanoic acid</synonym>
  </synonyms>
  <chemical_formula>C23H38O4</chemical_formula>
  <average_molecular_weight>378.5</average_molecular_weight>
  <monisotopic_moleculate_weight>378.27700969</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number/>
  <smiles>CC1CCC2(C(C1CCC3(CCC(OO3)C(C)C(=O)O)C)CCCC2=C)C</smiles>
  <inchi>InChI=1S/C23H38O4/c1-15-9-14-23(5)16(2)7-6-8-19(23)18(15)10-12-22(4)13-11-20(26-27-22)17(3)21(24)25/h15,17-20H,2,6-14H2,1,3-5H3,(H,24,25)/t15-,17-,18+,19?,20?,22?,23+/m1/s1</inchi>
  <inchikey>VRMMLZKUQZCNHU-HMVYJHHDSA-N</inchikey>
  <taxonomy>
  </taxonomy>
  <state/>
  <predicted_properties>
  </predicted_properties>
  <experimental_properties>
  </experimental_properties>
  <property>
    <kind>average_mass</kind>
    <value>378.5</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>378.27700969</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>CC1CCC2(C(C1CCC3(CCC(OO3)C(C)C(=O)O)C)CCCC2=C)C</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>C23H38O4</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/C23H38O4/c1-15-9-14-23(5)16(2)7-6-8-19(23)18(15)10-12-22(4)13-11-20(26-27-22)17(3)21(24)25/h15,17-20H,2,6-14H2,1,3-5H3,(H,24,25)/t15-,17-,18+,19?,20?,22?,23+/m1/s1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>VRMMLZKUQZCNHU-HMVYJHHDSA-N</value>
    <source>ChemAxon</source>
  </property>
  <pathways>
  </pathways>
  <spectra>
  </spectra>
  <hmdb_id/>
  <pubchem_compound_id/>
  <chemspider_id/>
  <kegg_id/>
  <chebi_id/>
  <biocyc_id/>
  <het_id/>
  <wikipidia/>
  <vmh_id/>
  <fbonto_id/>
  <foodb_id/>
  <general_references>
  </general_references>
  <foods>
  </foods>
  <flavors>
  </flavors>
  <enzymes>
  </enzymes>
  <health_effects>
  </health_effects>
</compound>
