93030 <common-name>Methyl (5ß,7a)-7-acetoxy-3,12-dioxocholan-24-oate</common-name> <description>Methyl (5ß,7a)-7-acetoxy-3,12-dioxocholan-24-oate belongs to the bile acids, alcohols and derivatives, a subclass of steroids and steroid derivatives within the organic compounds. This lipid-like molecule has the chemical formula C27H40O6 and an average molecular weight of 460.61 g/mol.</description> <cas>60354-42-9</cas> <pubchem-id>108927</pubchem-id> <chemical-formula>C27H40O6</chemical-formula> <weight nil="true"/> <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">2026-04-05T01:55:08Z</created-at> <updated-at type="dateTime">2026-04-05T01:55:08Z</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>[H][C@@](C)(CCC(=O)OC)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@@]([H])(C[C@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC(=O)[C@]12C)OC(C)=O</moldb-smiles> <moldb-formula>C27H40O6</moldb-formula> <moldb-inchi>InChI=1/C27H40O6/c1-15(6-9-24(31)32-5)19-7-8-20-25-21(14-23(30)27(19,20)4)26(3)11-10-18(29)12-17(26)13-22(25)33-16(2)28/h15,17,19-22,25H,6-14H2,1-5H3</moldb-inchi> <moldb-inchikey>OMMPWAYKPXWRDV-MAWLZVMFSA-N</moldb-inchikey> <moldb-average-mass type="decimal">460.611</moldb-average-mass> <moldb-mono-mass type="decimal">460.282489</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM088923</chemdb-id> <dsstox-id>DTXSID00975769</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00054545</susdat-id> <iupac nil="true"/> <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>Steroids and steroid derivatives</klass> <subklass>Bile acids, alcohols and derivatives</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0119716</sync-id> <structure-inchikey>OMMPWAYKPXWRDV-MAWLZVMFSA-N</structure-inchikey> <structure-fingerprint>40820004200000001800800000000000000080000000000010000000410010000000001200000020000000000000000000000000000000000000000800000000014080000000200000000000000000000020000000000100000000001000000000000002010000000240020000000000000000020000000000000000000000500010010048000000000000000200000080200000000000000000008000000020000800000004000000400000082000000000000000000000040008000800000000000408000000000000000000000080000000040000000000200000000000080040800000000001000000000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������!���$���€�� 4��������`�������`�������`�������(�������(�������(�������`������ 4��������`�������`������ 4������� 4������� 4��������`������ 4��������`�������(�������(�������`�������`������ $�������`������ 4��������`�������(�������(������ $�������`�������(�������(�������`�������(��������������������(��� ������� � � ������ � ���������������������������������������������� ���� ���� (�������������B������ ��� �����������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:34:54Z</structure-indexed-at> </compound>