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<compound>
  <id type="integer">29770</id>
  <title nil="true"/>
  <common-name>Phytolaccoside D</common-name>
  <description>Phytolaccoside D is a chemical compound with the molecular formula C42H66O15. Phytolaccoside D belongs to the triterpenoids, a subclass of prenol lipids within the organic compounds. With an average molecular weight of 810.96 g/mol, Phytolaccoside D is a heavy molecule.

The compound is found in or released from 13 recorded sources across several sectors. In the electrical and electronic equipment sector, it is associated with capacitors, batteries, wires and cables, cell phones, and printed circuit boards, among one other source. Within the textiles, leather and furnishings sector, it is found in synthetic textiles as well as carpets and rugs. It is also identified in food packaging within the food, food processing and cookware sector, and in medical devices within the healthcare, pharmaceuticals and veterinary products sector. Additionally, the compound is present in lubricants used in both energy, oil and gas, as well as industrial manufacturing and chemical processing. One other sector is also recorded. Exposure to Phytolaccoside D can occur through inhalation, oral intake, or touch.</description>
  <cas>65931-92-2</cas>
  <pubchem-id>10724099</pubchem-id>
  <chemical-formula>C42H66O15</chemical-formula>
  <weight>811</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">2016-05-26T00:36:31Z</created-at>
  <updated-at type="dateTime">2026-09-01T01:10:19Z</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>COC(=O)C1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1)C(O)=O</moldb-smiles>
  <moldb-formula>C42H66O15</moldb-formula>
  <moldb-inchi>InChI=1S/C42H66O15/c1-37(36(52)53-6)13-15-42(35(50)51)16-14-40(4)21(22(42)17-37)7-8-26-38(2)11-10-27(39(3,20-44)25(38)9-12-41(26,40)5)57-33-31(48)29(46)24(19-54-33)56-34-32(49)30(47)28(45)23(18-43)55-34/h7,22-34,43-49H,8-20H2,1-6H3,(H,50,51)</moldb-inchi>
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  <moldb-average-mass type="decimal">810.9644</moldb-average-mass>
  <moldb-mono-mass type="decimal">810.440171442</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.8</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>8899432</chemspider-id>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
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  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM028665</chemdb-id>
  <dsstox-id>DTXSID801109702</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00093710</susdat-id>
  <iupac>10-[3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2-methoxycarbonyl-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid</iupac>
  <moldb-polar-surface-area>242.12999999999994</moldb-polar-surface-area>
  <moldb-refractivity>200.74960000000007</moldb-refractivity>
  <moldb-polarizability>88.58293031253886</moldb-polarizability>
  <moldb-rotatable-bond-count>9</moldb-rotatable-bond-count>
  <moldb-acceptor-count>14</moldb-acceptor-count>
  <moldb-donor-count>8</moldb-donor-count>
  <moldb-pka-strongest-acidic>4.52067484801767</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-2.785723758010729</moldb-pka-strongest-basic>
  <moldb-physiological-charge>-1</moldb-physiological-charge>
  <moldb-number-of-rings>7</moldb-number-of-rings>
  <moldb-alogps-logp>2.15</moldb-alogps-logp>
  <moldb-alogps-logs>-3.85</moldb-alogps-logs>
  <moldb-alogps-solubility>1.14e-01 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Lipids and lipid-like molecules</superklass>
  <klass>Prenol lipids</klass>
  <subklass>Triterpenoids</subklass>
  <paper-count type="integer">76</paper-count>
  <sync-id>CED0020722</sync-id>
  <structure-inchikey>NMDFCFOQBAHNPV-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T04:10:19Z</structure-indexed-at>
</compound>
