<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-06 01:16:53 UTC</creation_date>
  <update_date>2026-05-21 00:30:56 UTC</update_date>
  <accession/>
  <common_name>Escin Ia</common_name>
  <class>SmallMolecule</class>
  <description>Escin Ia is a chemical compound with the molecular formula C55H86O24. Escin Ia belongs to the terpene glycosides, a subclass of prenol lipids within the organic compounds. With an average molecular weight of 1,131 g/mol, Escin Ia is a heavy molecule.

The compound has been identified in or released from 13 recorded sources across several sectors. Within Electrical &amp; Electronic Equipment, it is found in batteries, capacitors, printed circuit boards, cell phones, wires and cables, and one additional source. In the Textiles, leather &amp; furnishings sector, it is associated with synthetic textiles as well as carpets and rugs. It is also present in food packaging within the Food, food processing &amp; cookware sector, and in medical devices under Healthcare, pharmaceuticals &amp; veterinary products. Additionally, Escin Ia is found in lubricants used in both the Energy, oil &amp; gas sector and the Industrial manufacturing &amp; chemical processing sector, as well as one other sector. Recorded routes of exposure for this compound include oral ingestion, inhalation, and touch.</description>
  <categories/>
  <types>
    <type>PFAS</type>
    <type>Phytotoxin</type>
  </types>
  <synonyms/>
  <chemical_formula>C55H86O24</chemical_formula>
  <average_molecular_weight>1131.269</average_molecular_weight>
  <monisotopic_moleculate_weight/>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>123748-68-5</cas_registry_number>
  <smiles>[H][C@]1(CO)O[C@@]([H])(O[C@]2([H])[C@@H](O)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@@H](O)[C@H](O)[C@H]3O)[C@]([H])(O[C@@]2([H])O[C@@]2([H])CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])CC=C3[C@]5([H])CC(C)(C)[C@@]([H])(OC(=O)C(C)=CC)[C@]([H])(OC(C)=O)[C@]5(CO)[C@H](O)C[C@@]43C)[C@@]2(C)CO)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O</smiles>
  <inchi>InChI=1S/C55H86O24/c1-10-23(2)46(71)79-43-44(72-24(3)60)55(22-59)26(17-50(43,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)61)75-49-41(77-48-38(67)36(65)34(63)28(20-57)74-48)39(68)40(42(78-49)45(69)70)76-47-37(66)35(64)33(62)27(19-56)73-47/h10-11,26-44,47-49,56-59,61-68H,12-22H2,1-9H3,(H,69,70)/b23-10+/t26-,27+,28+,29+,30+,31+,32-,33+,34+,35-,36-,37+,38+,39-,40-,41+,42-,43-,44-,47-,48-,49+,51-,52+,53+,54+,55-/m0/s1</inchi>
  <inchikey>AXNVHPCVMSNXNP-IVKVKCDBSA-N</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties/>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>1131.269</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>[H][C@]1(CO)O[C@@]([H])(O[C@]2([H])[C@@H](O)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@@H](O)[C@H](O)[C@H]3O)[C@]([H])(O[C@@]2([H])O[C@@]2([H])CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])CC=C3[C@]5([H])CC(C)(C)[C@@]([H])(OC(=O)C(C)=CC)[C@]([H])(OC(C)=O)[C@]5(CO)[C@H](O)C[C@@]43C)[C@@]2(C)CO)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C55H86O24</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C55H86O24/c1-10-23(2)46(71)79-43-44(72-24(3)60)55(22-59)26(17-50(43,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)61)75-49-41(77-48-38(67)36(65)34(63)28(20-57)74-48)39(68)40(42(78-49)45(69)70)76-47-37(66)35(64)33(62)27(19-56)73-47/h10-11,26-44,47-49,56-59,61-68H,12-22H2,1-9H3,(H,69,70)/b23-10+/t26-,27+,28+,29+,30+,31+,32-,33+,34+,35-,36-,37+,38+,39-,40-,41+,42-,43-,44-,47-,48-,49+,51-,52+,53+,54+,55-/m0/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>AXNVHPCVMSNXNP-IVKVKCDBSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bb40d71d0&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>6476030</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>1977651</chemspider_id>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
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  <wikipidia/>
  <general_references/>
  <targets>
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</compound>
