346476 <common-name>Phenyl n-[(7s)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5h-benzo[a]heptalen-7-yl]carbamate</common-name> <description>Phenyl n-[(7s)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5h-benzo[a]heptalen-7-yl]carbamate is a chemical compound with the formula C27H27NO6S. It has an average molecular weight of 493.60 g/mol.</description> <cas>96737-27-8</cas> <pubchem-id>339410</pubchem-id> <chemical-formula>C27H27NO6S</chemical-formula> <weight>493.6</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">2026-08-31T09:56:17Z</created-at> <updated-at type="dateTime">2026-08-31T09:56:17Z</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(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)OC4=CC=CC=C4)OC)OC</moldb-smiles> <moldb-formula>C27H27NO6S</moldb-formula> <moldb-inchi>InChI=1S/C27H27NO6S/c1-31-22-14-16-10-12-20(28-27(30)34-17-8-6-5-7-9-17)19-15-21(29)23(35-4)13-11-18(19)24(16)26(33-3)25(22)32-2/h5-9,11,13-15,20H,10,12H2,1-4H3,(H,28,30)/t20-/m0/s1</moldb-inchi> <moldb-inchikey>DDTYQLGFZVIGEK-FQEVSTJZSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">493.1559088</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.7</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>CHEM342369</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>Phenyl n-[(7s)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5h-benzo[a]heptalen-7-yl]carbamate</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>Hydrocarbon derivatives</superklass> <klass>Tropones</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0296829</sync-id> <structure-inchikey>DDTYQLGFZVIGEK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000008000000000000000400000000000000020200400008000000014200000000000000000000000000000000000000000200000000000000000000020000000a00100004000200000000000000000010800000040000000100000108000020000040000000000000000105040000040000000800000000000000080000000000100020000080000000000000000000804000000000000080000000000000002000000000000000000000080000000000000010000800000000000024020000000001040201202000002000000000000000000000040000800000400000080400020000000800000000000</structure-fingerprint> 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