<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">80755</id>
  <title nil="true"/>
  <common-name>Sorbitan, tetradodecanoate</common-name>
  <description nil="true"/>
  <cas>93963-93-0</cas>
  <pubchem-id>44147512</pubchem-id>
  <chemical-formula>C54H100O9</chemical-formula>
  <weight>893.4</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">2026-04-04T16:29:12Z</created-at>
  <updated-at type="dateTime">2026-04-17T19:45:50Z</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>CCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCC)[C@H]1OC[C@H](OC(=O)CCCCCCCCCCC)[C@H]1OC(=O)CCCCCCCCCCC</moldb-smiles>
  <moldb-formula>C54H100O9</moldb-formula>
  <moldb-inchi>InChI=1S/C54H100O9/c1-5-9-13-17-21-25-29-33-37-41-49(55)59-45-47(61-50(56)42-38-34-30-26-22-18-14-10-6-2)53-54(63-52(58)44-40-36-32-28-24-20-16-12-8-4)48(46-60-53)62-51(57)43-39-35-31-27-23-19-15-11-7-3/h47-48,53-54H,5-46H2,1-4H3/t47-,48+,53-,54-/m1/s1</moldb-inchi>
  <moldb-inchikey>YWSDIOKOZYVZFR-OHTOXZDKSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">893.385</moldb-average-mass>
  <moldb-mono-mass type="decimal">892.736735</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>34998758</chemspider-id>
  <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>CHEM076648</chemdb-id>
  <dsstox-id>DTXSID40239978</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00039806</susdat-id>
  <iupac>[(2R)-2-[(2R,3R,4S)-3,4-di(dodecanoyloxy)oxolan-2-yl]-2-dodecanoyloxyethyl] dodecanoate</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"/>
</compound>
