24904 <common-name>Officinalisnin I</common-name> <description>Officinalisnin I is a chemical compound with the molecular formula C45H76O19. Officinalisnin I belongs to the steroidal glycosides, a subclass of steroids and steroid derivatives within the organic compounds. With an average molecular weight of 921.08 g/mol, Officinalisnin I is a heavy molecule. This compound has been identified in or released from 13 recorded sources across several diverse sectors. Within the healthcare, pharmaceuticals & veterinary products sector, it is associated with medical devices. In the energy, oil & gas and industrial manufacturing & chemical processing sectors, it is found in lubricants. It is also present in food packaging within the food, food processing & cookware sector. Furthermore, it is recorded in textiles, leather & furnishings, specifically in synthetic textiles as well as carpets and rugs. In the electrical & electronic equipment sector, sources include cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. Additionally, it is found in one other unspecified sector. Recorded routes of exposure for Officinalisnin I include inhalation, oral ingestion, and touch.</description> <cas>57944-18-0</cas> <pubchem-id>441889</pubchem-id> <chemical-formula>C45H76O19</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">2016-05-25T21:18:04Z</created-at> <updated-at type="dateTime">2026-04-06T02:04:56Z</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>C[C@H](CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC[C@@H]5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</moldb-smiles> <moldb-formula>C45H76O19</moldb-formula> <moldb-inchi>InChI=1S/C45H76O19/c1-19(18-58-40-37(55)34(52)31(49)27(15-46)60-40)7-12-45(57)20(2)30-26(64-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)59-42-39(36(54)33(51)29(17-48)62-42)63-41-38(56)35(53)32(50)28(16-47)61-41/h19-42,46-57H,5-18H2,1-4H3/t19-,20+,21-,22+,23-,24+,25+,26+,27-,28-,29-,30+,31-,32-,33-,34+,35+,36+,37-,38-,39-,40-,41+,42-,43+,44+,45-/m1/s1</moldb-inchi> <moldb-inchikey>SORUXVRKWOHYEO-YGNOLRTQSA-N</moldb-inchikey> <moldb-average-mass type="decimal">921.084</moldb-average-mass> <moldb-mono-mass type="decimal">920.498080227</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>390465</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>CHEM023799</chemdb-id> <dsstox-id>DTXSID501110526</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00094585</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>307.37</moldb-polar-surface-area> <moldb-refractivity>220.16590000000002</moldb-refractivity> <moldb-polarizability>98.64207049634103</moldb-polarizability> <moldb-rotatable-bond-count>13</moldb-rotatable-bond-count> <moldb-acceptor-count>19</moldb-acceptor-count> <moldb-donor-count>12</moldb-donor-count> <moldb-pka-strongest-acidic>11.557459716650854</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-3.6483775957536517</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>8</moldb-number-of-rings> <moldb-alogps-logp>-0.49</moldb-alogps-logp> <moldb-alogps-logs>-3.09</moldb-alogps-logs> <moldb-alogps-solubility>7.46e-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">4</paper-count> <sync-id>CED0035322</sync-id> <structure-inchikey>SORUXVRKWOHYEO-YGNOLRTQSA-N</structure-inchikey> <structure-fingerprint>400000000000000000008000004003000000800000210000000000020000000000200010000000000800004000000000000000000000000000002080004000000120c0000000000000000100200200000000800400000100000000001000100000000010010001080000000005000000000000120000000000000000010040100004000048020400010000000000000020200000000000000000220000400420000800040014000008000000040000000008000000000004040100000008000000000000000000008004000000000000040000000000000000000000082000000000001000004800000000000000000040000003000000480000000000000200</structure-fingerprint> 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