<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">118562</id>
  <title nil="true"/>
  <common-name>11-Oxo-17,23-epoxyveratraman-3-yl hexopyranoside (Pseudojervine)</common-name>
  <description nil="true"/>
  <cas>36069-05-3</cas>
  <pubchem-id>16398499</pubchem-id>
  <chemical-formula>C33H49NO8</chemical-formula>
  <weight nil="true"/>
  <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">2026-04-06T01:49:02Z</created-at>
  <updated-at type="dateTime">2026-05-21T01:23:45Z</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>[H][C@@]12CC([H])(C)CN[C@@]1([H])C([H])(C)[C@@]1(CCC3([H])C(C(=O)C4([H])C3([H])CC=C3C[C@]([H])(CCC43C)O[C@]3([H])OC([H])(CO)[C@@]([H])(O)C([H])(O)C3([H])O)=C1C)O2</moldb-smiles>
  <moldb-formula>C33H49NO8</moldb-formula>
  <moldb-inchi>InChI=1S/C33H49NO8/c1-15-11-22-26(34-13-15)17(3)33(42-22)10-8-20-21-6-5-18-12-19(40-31-30(39)29(38)27(36)23(14-35)41-31)7-9-32(18,4)25(21)28(37)24(20)16(33)2/h5,15,17,19-23,25-27,29-31,34-36,38-39H,6-14H2,1-4H3/t15?,17?,19-,20?,21?,22+,23?,25?,26-,27+,29?,30?,31+,32?,33-/m0/s1</moldb-inchi>
  <moldb-inchikey>HYDDDNUKNMMWBD-WJWSUNTISA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">587.754</moldb-average-mass>
  <moldb-mono-mass type="decimal">587.345818</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>16739509</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>CHEM114455</chemdb-id>
  <dsstox-id>DTXSID60957480</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00094303</susdat-id>
  <iupac>(8xi,9xi,10xi,14xi,22S,23R)-11-Oxo-20xi,25xi-17,23-epoxyveratraman-3alpha-yl beta-D-glycero-hexopyranoside</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>
