348738 <common-name>4-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl-(3-oxobutyl)amino]butan-2-one</common-name> <description>4-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl-(3-oxobutyl)amino]butan-2-one is a chemical compound with the formula C28H43NO2. It has an average molecular weight of 425.60 g/mol.</description> <cas nil="true"/> <pubchem-id>116697</pubchem-id> <chemical-formula>C28H43NO2</chemical-formula> <weight>425.6</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">2026-08-31T12:52:30Z</created-at> <updated-at type="dateTime">2026-08-31T12:52:30Z</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>CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CN(CCC(=O)C)CCC(=O)C)C</moldb-smiles> <moldb-formula>C28H43NO2</moldb-formula> <moldb-inchi>InChI=1S/C28H43NO2/c1-20(2)23-8-10-25-24(18-23)9-11-26-27(5,14-7-15-28(25,26)6)19-29(16-12-21(3)30)17-13-22(4)31/h8,10,18,20,26H,7,9,11-17,19H2,1-6H3</moldb-inchi> <moldb-inchikey>YPAVIPVDMOLQQS-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">425.3293796</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.7</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>CHEM344631</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>4-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl-(3-oxobutyl)amino]butan-2-one</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>Diterpenoids</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0299066</sync-id> <structure-inchikey>YPAVIPVDMOLQQS-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>42000000000000000000880004800000000000000000000000000000000000100000001000000200000000000000000000000000000000000000040200000000000000000000000001000200000000000020000200000000004000000000000080200000010000000000000000104200000000020000001000000000000000500800000048000000000000008000000000200000000000000000080400000020000000000004000000001400088000000000000000000000000000000000000000020008000000000000000000000000000000000000000000200200000000000008000000000004000040080000800400200001000000080000000000080000</structure-fingerprint> 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