336619 <common-name>[(2r,2as,4as,7as,7br)-2a-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-yl] 3-bromo-4,6-dihydroxy-2-methylbenzoate</common-name> <description>[(2r,2as,4as,7as,7br)-2a-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-yl] 3-bromo-4,6-dihydroxy-2-methylbenzoate is a compound with the formula C23H29BrO6. It has an average molecular weight of 481.40 g/mol.</description> <cas nil="true"/> <pubchem-id>155818807</pubchem-id> <chemical-formula>C23H29BrO6</chemical-formula> <weight>481.4</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">2026-08-30T19:09:03Z</created-at> <updated-at type="dateTime">2026-08-30T19:09:03Z</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(=C1Br)O)O)C(=O)OC2CC3(C2(C(=CC4C3CC(C4)(C)C)CO)O)C</moldb-smiles> <moldb-formula>C23H29BrO6</moldb-formula> <moldb-inchi>InChI=1S/C23H29BrO6/c1-11-18(15(26)6-16(27)19(11)24)20(28)30-17-9-22(4)14-8-21(2,3)7-12(14)5-13(10-25)23(17,22)29/h5-6,12,14,17,25-27,29H,7-10H2,1-4H3/t12-,14+,17-,22-,23+/m1/s1</moldb-inchi> <moldb-inchikey>WVNDEZRWZBQWIL-PPUVGZBRSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">480.11475</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.7</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>CHEM332512</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>[(2r,2as,4as,7as,7br)-2a-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-yl] 3-bromo-4,6-dihydroxy-2-methylbenzoate</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>Lipids and lipid-like molecules</superklass> <klass>Prenol lipids</klass> <subklass>Sesquiterpenoids</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0287080</sync-id> <structure-inchikey>WVNDEZRWZBQWIL-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>8000000000000000400000000000000000020010014800000100000000000000000000000000000000000000810000000000000000000100000000800000002000000000000004200000010001000000008000000000000000000100000004008000001000000000020200000000000000000000001000000000480000000000000006000000204000000000000000000000000000a0000000000000000000100000080200000000000800002020000100000000000000000000000000022102000100000000000028000002002000000000000000000040000000000000000040000000000400000000000000000100000800000200</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAeAAAAIQAAAIABBgBgAAAAAQMGQCgAAAAD BAZAKAAAAAMEBkAoAAAAAwQGQGgAAAADAwEGQCgAAAADBAZAKAAAAAMEIwAg AAAAAQgAaAAAAAMBAQgAaAAAAAMBAQYAKAAAAAMECAAoAAAAAwIIACgAAAAD AgYAYAAAAAMBBgBgAAAAAgIGACAAAAAEBgAgAAAABAYAKAAAAAMEBgBoAAAA AwMBBgBgAAAAAwEGAGAAAAADAQYAYAAAAAICBgAgAAAABAYAYAAAAAICBgBg AAAAAQMGAGAAAAABAwYAYAAAAAICCABgAAAAAQEIAGAAAAABAQYAYAAAAAED 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