352821 <common-name>[5-(4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl)-3-methylpenta-2,4-dienyl]-triphenylphosphanium</common-name> <description>[5-(4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl)-3-methylpenta-2,4-dienyl]-triphenylphosphanium is a compound with the formula C33H36O2P+. It has an average molecular weight of 495.60 g/mol.</description> <cas nil="true"/> <pubchem-id>72460968</pubchem-id> <chemical-formula>C33H36O2P+</chemical-formula> <weight>495.6</weight> <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">2026-08-31T19:20:55Z</created-at> <updated-at type="dateTime">2026-08-31T19:20:55Z</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=C(C(CC(C1=O)O)(C)C)C=CC(=CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C</moldb-smiles> <moldb-formula>C33H36O2P+</moldb-formula> <moldb-inchi>InChI=1S/C33H36O2P/c1-25(20-21-30-26(2)32(35)31(34)24-33(30,3)4)22-23-36(27-14-8-5-9-15-27,28-16-10-6-11-17-28)29-18-12-7-13-19-29/h5-22,31,34H,23-24H2,1-4H3/q+1</moldb-inchi> <moldb-inchikey>BDLSLZJCJMWGCH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">495.2452924</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>7.2</logp> <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>CHEM348714</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>[5-(4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl)-3-methylpenta-2,4-dienyl]-triphenylphosphanium</iupac> <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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Phenylphosphines and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0303105</sync-id> <structure-inchikey>BDLSLZJCJMWGCH-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000001000000800000800000000000000000000000000000000000000000101000080000000020000800000000200004000000000000000000000100000000000000000000000000000040003000000020000001000200000000000000000000000000010000001000000000000010000000020080004000000000000000500000000048040000840008000001000004000000000100000000000000400020008000000000000000000000080000002000000000000000000000000000000000000000000000000000000000000000000000000000002000020200000000000000000000020000000044000000000000000200000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAkAAAAJwAAAIABBgBgAAAAAQMGACgAAAAD BAYAKAAAAAMEBgAgAAAABAYAYAAAAAICBgBgAAAAAwEGACgAAAADBAgAKAAA AAMCCABgAAAAAQEGAGAAAAABAwYAYAAAAAEDBgBoAAAAAwMBBgBoAAAAAwMB BgAoAAAAAwQGAGgAAAADAwEGAGAAAAACAg8gIgAAAAEEBkAoAAAAAwQGQGgA AAADAwEGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEGQCgA AAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAaAAA AAMDAQZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAA AwMBBkBoAAAAAwMBBgBgAAAAAQMLAAEAAQIoAgIDAAMEAAQFAAUGAAYHKAIF CAADCQADCgACCyALDCgCDA0gDQ4oAg4PAA8QABARABESaAwSE2gMExRoDBQV aAwVFmgMEBcAFxhoDBgZaAwZGmgMGhtoDBscaAwQHQAdHmgMHh9oDB8gaAwg IWgMISJoDA0jAAYBIBYRaAwcF2gMIh1oDEIEAAAABgEGBQQDAgYSExQVFhEG GBkaGxwXBh4fICEiHRcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:50:31Z</structure-indexed-at> </compound>