89109 <common-name>4,4',4''-[(2-Methoxy-4,6-dimethylbenzene-1,3,5-triyl)tris(methylene)]tris[2,6-di-tert-butylphenol]</common-name> <description>4,4',4''-[(2-Methoxy-4,6-dimethylbenzene-1,3,5-triyl)tris(methylene)]tris[2,6-di-tert-butylphenol] belongs to the linear diarylheptanoids, a subclass of diarylheptanoids within the organic compounds. It is a member of the phenylpropanoids and polyketides superclass with the formula C54H78O4. With an average molecular weight of 791.21 g/mol, 4,4',4''-[(2-Methoxy-4,6-dimethylbenzene-1,3,5-triyl)tris(methylene)]tris[2,6-di-tert-butylphenol] is a heavy molecule.</description> <cas>24564-79-2</cas> <pubchem-id>71436346</pubchem-id> <chemical-formula>C54H78O4</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">2026-04-04T23:31:05Z</created-at> <updated-at type="dateTime">2026-05-20T19:37:08Z</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>COC1=C(CC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)C(C)=C(CC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)C(C)=C1CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C</moldb-smiles> <moldb-formula>C54H78O4</moldb-formula> <moldb-inchi>InChI=1/C54H78O4/c1-31-36(22-33-25-39(49(3,4)5)45(55)40(26-33)50(6,7)8)32(2)38(24-35-29-43(53(15,16)17)47(57)44(30-35)54(18,19)20)48(58-21)37(31)23-34-27-41(51(9,10)11)46(56)42(28-34)52(12,13)14/h25-30,55-57H,22-24H2,1-21H3</moldb-inchi> <moldb-inchikey>QDSWELIUCPGYMD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">791.214</moldb-average-mass> <moldb-mono-mass type="decimal">790.590011</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <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>CHEM085002</chemdb-id> <dsstox-id>DTXSID00894820</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00049952</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Phenylpropanoids and polyketides</superklass> <klass>Diarylheptanoids</klass> <subklass>Linear diarylheptanoids</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0081336</sync-id> <structure-inchikey>QDSWELIUCPGYMD-UHFFFAOYSA-N</structure-inchikey> 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