343043 <common-name>(1s,4ar,4bs)-4a-methyl-7-propan-2-ylspiro[2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1,5'-3-oxatricyclo[4.1.1.11,6]nonane]-4'-one</common-name> <description>(1s,4ar,4bs)-4a-methyl-7-propan-2-ylspiro[2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1,5'-3-oxatricyclo[4.1.1.11,6]nonane]-4'-one is a chemical compound with the formula C25H34O2 and an average molecular weight of 366.50 g/mol. 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<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=CCC3C(C2CC1)(CCCC34C(=O)OCC56CC4(C5)C6)C</moldb-smiles> <moldb-formula>C25H34O2</moldb-formula> <moldb-inchi>InChI=1S/C25H34O2/c1-16(2)17-5-7-19-18(11-17)6-8-20-22(19,3)9-4-10-25(20)21(26)27-15-23-12-24(25,13-23)14-23/h6,11,16,19-20H,4-5,7-10,12-15H2,1-3H3/t19-,20?,22-,23?,24?,25-/m1/s1</moldb-inchi> <moldb-inchikey>KFQMNUPIUPNWIH-BIWKAOEKSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">366.2558803</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.2</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>CHEM338936</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>(1s,4ar,4bs)-4a-methyl-7-propan-2-ylspiro[2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1,5'-3-oxatricyclo[4.1.1.11,6]nonane]-4'-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>Terpene lactones</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0293424</sync-id> <structure-inchikey>KFQMNUPIUPNWIH-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000080100000000000040000000000000000000040000000000001000800020000000000000000000000000400000400100000200080000000000000440000200000200000400000020800000002000000000000000000000020000000000000000000000000000000000820000000000000000000040108800000048000000000000000001000000200000000000000080000000000020008000000004000000000000080000000000000000000000040000000000000000000000000000000000000000000080000000000000200000204000000004000000000000000000014040000000000000000002000040000001040000080800</structure-fingerprint> 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