<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">353790</id>
  <title nil="true"/>
  <common-name>[(1s,2s,6r,10s,11r,13s,14r,15r)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-13-octanoyloxy-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] benzoate</common-name>
  <description>[(1s,2s,6r,10s,11r,13s,14r,15r)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-13-octanoyloxy-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] benzoate is a chemical compound with the formula C35H46O8. With an average molecular weight of 594.70 g/mol, [(1s,2s,6r,10s,11r,13s,14r,15r)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-13-octanoyloxy-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] benzoate is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>9873332</pubchem-id>
  <chemical-formula>C35H46O8</chemical-formula>
  <weight>594.7</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">2026-08-31T20:52:56Z</created-at>
  <updated-at type="dateTime">2026-08-31T20:52:56Z</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>CCCCCCCC(=O)OC12C(C1(C)C)C3C=C(CC4(C(C3(C(C2OC(=O)C5=CC=CC=C5)C)O)C=C(C4=O)C)O)CO</moldb-smiles>
  <moldb-formula>C35H46O8</moldb-formula>
  <moldb-inchi>InChI=1S/C35H46O8/c1-6-7-8-9-13-16-27(37)43-35-28(32(35,4)5)25-18-23(20-36)19-33(40)26(17-21(2)29(33)38)34(25,41)22(3)30(35)42-31(39)24-14-11-10-12-15-24/h10-12,14-15,17-18,22,25-26,28,30,36,40-41H,6-9,13,16,19-20H2,1-5H3/t22-,25+,26-,28-,30-,33-,34-,35-/m1/s1</moldb-inchi>
  <moldb-inchikey>ZSODFQPJTVVVJG-IYRWHXEHSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">594.3192684</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <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>CHEM349683</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>[(1s,2s,6r,10s,11r,13s,14r,15r)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-13-octanoyloxy-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] benzoate</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"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Lipids and lipid-like molecules</superklass>
  <klass>Prenol lipids</klass>
  <subklass>Diterpenoids</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0304072</sync-id>
  <structure-inchikey>ZSODFQPJTVVVJG-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000040000800000000000100040000000000000000002000000000000000002000020000000008000000084000008000000000000000000000000000000000020000000010002000000000220000000000180000000040000001800000020010000000400000200000000000002020808000000000012010000100000000048000000800000000200010060000000000101000000000000001020000080040000000008000000086001000000000008000000000000000000000000000008000000000000040000000000200000000000002020000200408000000000000000000200000040010020050400000000000001004100000000000200</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAArAAAALwAAAIABBgBgAAAAAQMGAGAAAAAC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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:51:34Z</structure-indexed-at>
</compound>
