<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">352361</id>
  <title nil="true"/>
  <common-name>[(2r,3s,4r,5r,6r,8s,13r,14r,16s,18r)-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-7-oxo-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate</common-name>
  <description>[(2r,3s,4r,5r,6r,8s,13r,14r,16s,18r)-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-7-oxo-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate is a chemical compound with the formula C32H43NO9. With an average molecular weight of 585.70 g/mol, [(2r,3s,4r,5r,6r,8s,13r,14r,16s,18r)-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-7-oxo-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>78358490</pubchem-id>
  <chemical-formula>C32H43NO9</chemical-formula>
  <weight>585.7</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">2026-08-31T18:38:37Z</created-at>
  <updated-at type="dateTime">2026-08-31T18:38:37Z</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>CCN1CC2(C(CC(C34C2C(C(C31)C5C6C4CC(C6OC(=O)C7=CC=CC=C7)(C(C5=O)OC)O)OC)OC)O)COC</moldb-smiles>
  <moldb-formula>C32H43NO9</moldb-formula>
  <moldb-inchi>InChI=1S/C32H43NO9/c1-6-33-14-30(15-38-2)18(34)12-19(39-3)32-17-13-31(37)27(42-29(36)16-10-8-7-9-11-16)20(17)21(23(35)28(31)41-5)22(26(32)33)24(40-4)25(30)32/h7-11,17-22,24-28,34,37H,6,12-15H2,1-5H3/t17-,18-,19+,20+,21+,22?,24+,25?,26?,27-,28+,30+,31-,32?/m1/s1</moldb-inchi>
  <moldb-inchikey>RMTJALKWXOBAMX-ASXVFCPVSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">585.293782</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.9</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>CHEM348254</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>[(2r,3s,4r,5r,6r,8s,13r,14r,16s,18r)-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-7-oxo-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 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>CED0302650</sync-id>
  <structure-inchikey>RMTJALKWXOBAMX-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2000002000000000008000000000001000400a0000000000000000000000400000000003000020000000008000002a04000000000000000000000000000001110000000000800000000022100000900020000001000100400000040000008000000000010000000040020000000000000000020140000000000082000400100000000048400000800000002200020020000000000100000000800000400000020800000400000000000000084000000000000000004000000000000000000000000000000000000000000000000000000000000000000000000200088000000000000000000020000040400000000400808002000000024100800002000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAqAAAAMAAAAIABBgBgAAAAAQMGAGAAAAAC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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:50:07Z</structure-indexed-at>
</compound>
