96565 <common-name>Ethyl 3,7,12-trioxo-5ßcholan-24-oate</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>4603261</pubchem-id> <chemical-formula>C26H38O5</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">2026-04-05T04:27:57Z</created-at> <updated-at type="dateTime">2026-04-05T04:27:57Z</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)OCC)[C@@]1([H])CC[C@@]2([H])[C@]3([H])C(=O)C[C@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC(=O)[C@]12C</moldb-smiles> <moldb-formula>C26H38O5</moldb-formula> <moldb-inchi>InChI=1/C26H38O5/c1-5-31-23(30)9-6-15(2)18-7-8-19-24-20(14-22(29)26(18,19)4)25(3)11-10-17(27)12-16(25)13-21(24)28/h15-16,18-20,24H,5-14H2,1-4H3</moldb-inchi> <moldb-inchikey>JOLKBUSRBZYZEH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">430.585</moldb-average-mass> <moldb-mono-mass type="decimal">430.2719243</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>CHEM092458</chemdb-id> <dsstox-id>DTXSID60967165</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00058699</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>CED0096564</sync-id> <structure-inchikey>JOLKBUSRBZYZEH-PYGYYAGESA-N</structure-inchikey> <structure-fingerprint>408000042000000018008000000000000000900000000000000000004100100000000010020000200000000000022000000000000000000000000008000000000100800000002000000000000000000000200000040001000000000010000000000000000100000000000000000000000000000200000000000000000000001000000000480000000000000000000080022000000000000000000280000000200000000000040000004000000820000000000000000044000400000008000000000000080000000000000000000000000000000c0000002000200000000000080040810000000001000000000000000400000000000000000000000000004000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ��������������������"���€�� 4��������`�������`�������`�������(�������(�������(�������`�������`������ 4��������`�������`������ 4������� 4��������(�������(�������`������ 4��������`�������(�������(�������`�������`������ $�������`������ 4��������`�������(�������(������ $�������`��������������������(��� ������� � � ������ � ������������������������������������������������������ ����� ����B����� ��������� ������������ �����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:37:07Z</structure-indexed-at> </compound>