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<compound>
  <id type="integer">29514</id>
  <title nil="true"/>
  <common-name>beta-Solamarine</common-name>
  <description>beta-Solamarine is a compound with the chemical formula C45H73NO15. beta-Solamarine belongs to the steroidal glycosides, a subclass of steroids and steroid derivatives within the organic compounds. With an average molecular weight of 868.06 g/mol, beta-Solamarine is a heavy molecule.

This substance has been found in or released from 13 recorded sources across several diverse sectors. Within the electrical and electronic equipment sector, it is associated with cell phones, capacitors, batteries, printed circuit boards, and wires and cables, among one other source. In the textiles, leather, and furnishings sector, it is linked to synthetic textiles as well as carpets and rugs. It is also found in food packaging within the food, food processing, and cookware sector, and in medical devices within the healthcare, pharmaceuticals, and veterinary products sector. Additionally, beta-Solamarine is present in lubricants used in both the energy, oil, and gas sector and the industrial manufacturing and chemical processing sector, along with one other sector. Recorded exposure routes for this compound include inhalation, oral, and touch.</description>
  <cas>3671-38-3</cas>
  <pubchem-id>168971</pubchem-id>
  <chemical-formula>C45H73NO15</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">2016-05-26T00:26:25Z</created-at>
  <updated-at type="dateTime">2026-04-06T01:49:43Z</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>CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(C)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CN1</moldb-smiles>
  <moldb-formula>C45H73NO15</moldb-formula>
  <moldb-inchi>InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-41-37(54)35(52)38(29(18-47)58-41)59-42-39(34(51)32(49)22(4)56-42)60-40-36(53)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3</moldb-inchi>
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  <moldb-average-mass type="decimal">868.0588</moldb-average-mass>
  <moldb-mono-mass type="decimal">867.498020671</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>147795</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>CHEM028409</chemdb-id>
  <dsstox-id>DTXSID601104299</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00094320</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>238.4799999999999</moldb-polar-surface-area>
  <moldb-refractivity>216.09930000000006</moldb-refractivity>
  <moldb-polarizability>96.02399604553099</moldb-polarizability>
  <moldb-rotatable-bond-count>7</moldb-rotatable-bond-count>
  <moldb-acceptor-count>16</moldb-acceptor-count>
  <moldb-donor-count>9</moldb-donor-count>
  <moldb-pka-strongest-acidic>11.885747198053554</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>9.539679889166203</moldb-pka-strongest-basic>
  <moldb-physiological-charge>1</moldb-physiological-charge>
  <moldb-number-of-rings>9</moldb-number-of-rings>
  <moldb-alogps-logp>1.58</moldb-alogps-logp>
  <moldb-alogps-logs>-3.74</moldb-alogps-logs>
  <moldb-alogps-solubility>1.59e-01 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Lipids and lipid-like molecules</superklass>
  <klass>Steroids and steroid derivatives</klass>
  <subklass>Steroidal glycosides</subklass>
  <paper-count type="integer">55</paper-count>
  <sync-id>CED0022765</sync-id>
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  <structure-indexed-at type="dateTime">2026-09-19T04:10:18Z</structure-indexed-at>
</compound>
