44551 <common-name>6.beta.-acetoxy-3beta-(beta.-D-glucopyranosyloxy)-8,14-dihydroxybufa-4,20,22- trienolide/Scilliroside</common-name> <description nil="true"/> <cas>507-60-8</cas> <pubchem-id>62354</pubchem-id> <chemical-formula>C32H44O12</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">2016-06-03T10:55:19Z</created-at> <updated-at type="dateTime">2026-03-27T01:34:15Z</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>CC(=O)OC1CC2(O)C(CCC3(C)C(CCC23O)C2=COC(=O)C=C2)C2(C)CCC(OC3OC(CO)C(O)C(O)C3O)C=C12</moldb-smiles> <moldb-formula>C32H44O12</moldb-formula> <moldb-inchi>InChI=1S/C32H44O12/c1-16(34)42-21-13-31(39)23(8-10-30(3)19(7-11-32(30,31)40)17-4-5-24(35)41-15-17)29(2)9-6-18(12-20(21)29)43-28-27(38)26(37)25(36)22(14-33)44-28/h4-5,12,15,18-19,21-23,25-28,33,36-40H,6-11,13-14H2,1-3H3</moldb-inchi> <moldb-inchikey>LSMIOFMZNVEEBR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">620.692</moldb-average-mass> <moldb-mono-mass type="decimal">620.283276857</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>56145</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>CHEM043446</chemdb-id> <dsstox-id>DTXSID5042374</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>COMMISSION REGULATION (EC) No 1451/2007 (ANNEX I)</stoff-ident-origin> <stoff-ident-id>SI00002486</stoff-ident-id> <susdat-id>NS00007409</susdat-id> <iupac>10,11-dihydroxy-2,15-dimethyl-14-(2-oxo-2H-pyran-5-yl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-8-yl acetate</iupac> </compound>