345337 <common-name>Methyl (2s,3ar,5'as,7's,9'ar)-1',1',3a,4,5'a,7,7'-heptamethyl-3',6-dioxospiro[3h-1-benzofuran-2,6'-4,5,7,8,9,9a-hexahydrobenzo[c]oxepine]-5-carboxylate</common-name> <description>Methyl (2s,3ar,5'as,7's,9'ar)-1',1',3a,4,5'a,7,7'-heptamethyl-3',6-dioxospiro[3h-1-benzofuran-2,6'-4,5,7,8,9,9a-hexahydrobenzo[c]oxepine]-5-carboxylate is a compound with the formula C26H36O6. It has an average molecular weight of 444.60 g/mol.</description> <cas nil="true"/> <pubchem-id>155818802</pubchem-id> <chemical-formula>C26H36O6</chemical-formula> <weight>444.6</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">2026-08-31T08:01:04Z</created-at> <updated-at type="dateTime">2026-08-31T08:01:04Z</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>CC1CCC2C(OC(=O)CCC2(C13CC4(C(=C(C(=O)C(=C4O3)C)C(=O)OC)C)C)C)(C)C</moldb-smiles> <moldb-formula>C26H36O6</moldb-formula> <moldb-inchi>InChI=1S/C26H36O6/c1-14-9-10-17-23(4,5)31-18(27)11-12-25(17,7)26(14)13-24(6)16(3)19(22(29)30-8)20(28)15(2)21(24)32-26/h14,17H,9-13H2,1-8H3/t14-,17-,24+,25-,26-/m0/s1</moldb-inchi> <moldb-inchikey>YQWBCSIREWBSHS-MNKLQMRISA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">444.2511889</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.3</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>CHEM341230</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>Methyl (2s,3ar,5'as,7's,9'ar)-1',1',3a,4,5'a,7,7'-heptamethyl-3',6-dioxospiro[3h-1-benzofuran-2,6'-4,5,7,8,9,9a-hexahydrobenzo[c]oxepine]-5-carboxylate</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>Organoheterocyclic compounds</superklass> <klass>Benzofurans</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0295697</sync-id> <structure-inchikey>YQWBCSIREWBSHS-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000002000000000000040800000000000000000080000000000000080080220060000800000000000000000000000000000040200080000000000000000000000001000000000020020c00000001100000000000000000000000000010000000040000000000000002004020000000000200040000001100000000048000000050000000000000080a00000000000000000000000000020200000040004000800000000080000000000800800000000080000000000000000000000000000000000000000000000000000000000002000200000000000000000000000002000000000000000000400000000000000800000002000240000</structure-fingerprint> 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