<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">27096</id>
  <title nil="true"/>
  <common-name>Santamarin</common-name>
  <description>Santamarin is an organic compound with the chemical formula C15H20O3 and an average molecular weight of 248.32 g/mol. Santamarin belongs to the terpene lactones, a subclass of prenol lipids within the organic compounds.

This substance is found in or released from 14 recorded sources across several diverse sectors. Within electrical and electronic equipment, it is associated with batteries, capacitors, printed circuit boards, cell phones, wires and cables, and two additional sources. In the textiles, leather and furnishings sector, it is found in carpets, rugs, and synthetic textiles. Its presence is also recorded in food packaging within the food, food processing and cookware category. Furthermore, it is linked to medical devices in the healthcare, pharmaceuticals and veterinary products sector. In both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector, santamarin is found in lubricants. One additional sector is also recorded. The recorded exposure routes for this compound include oral, inhalation, and touch.</description>
  <cas>4290-13-5</cas>
  <pubchem-id>188297</pubchem-id>
  <chemical-formula>C15H20O3</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">2016-05-25T22:43:26Z</created-at>
  <updated-at type="dateTime">2026-04-06T01:37:06Z</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>CC1=CC[C@@H](O)[C@]2(C)CC[C@@H]3[C@H](OC(=O)C3=C)[C@@H]12</moldb-smiles>
  <moldb-formula>C15H20O3</moldb-formula>
  <moldb-inchi>InChI=1S/C15H20O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h4,10-13,16H,2,5-7H2,1,3H3/t10-,11+,12+,13-,15-/m0/s1</moldb-inchi>
  <moldb-inchikey>PLSSEPIRACGCBO-PFFFPCNUSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">248.3175</moldb-average-mass>
  <moldb-mono-mass type="decimal">248.141244506</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>163664</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>CHEM025991</chemdb-id>
  <dsstox-id>DTXSID70911513</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00094017</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>46.53</moldb-polar-surface-area>
  <moldb-refractivity>68.7084</moldb-refractivity>
  <moldb-polarizability>27.414728372980612</moldb-polarizability>
  <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count>
  <moldb-acceptor-count>2</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic>14.625811789902102</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-2.962469923096821</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>3</moldb-number-of-rings>
  <moldb-alogps-logp>2.44</moldb-alogps-logp>
  <moldb-alogps-logs>-2.41</moldb-alogps-logs>
  <moldb-alogps-solubility>9.67e-01 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Lipids and lipid-like molecules</superklass>
  <klass>Prenol lipids</klass>
  <subklass>Terpene lactones</subklass>
  <paper-count type="integer">146</paper-count>
  <sync-id>CED0016928</sync-id>
  <structure-inchikey>PLSSEPIRACGCBO-PFFFPCNUSA-N</structure-inchikey>
  <structure-fingerprint>100000000000000000000000000000000010000100000004000000000000000000000020000000000000000000000000000000000100000000000000000040000000000000000200000000000020800000000000000000800002008000010000010000000000000000001000100000020000000000100000000000100000000048000000800000000000000000200004000800000100000000400020000000004004000000000200080000000000000000000000040000800000000400000000000020000000000000000000000000000000002000000000000004000000000000000000000040000000000000000001000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������(�������h��������`������ 4��������`������ $�������`�������`�������`������ 4������� 4��������(�������(�������(�������(�������h������� 4���������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T04:09:57Z</structure-indexed-at>
</compound>
