95789 <common-name>Ethyl hydrogen 7a-(acetylthio)-17a-hydroxy-3-oxopregn-4-ene-21,21-dicarboxylate <U+03B3>-lactone</common-name> <description>Ethyl hydrogen 7a-(acetylthio)-17a-hydroxy-3-oxopregn-4-ene-21,21-dicarboxylate <U+03B3>-lactone belongs to the steroid lactones, a subclass of steroids and steroid derivatives within the organic compounds. It is categorized under the superclass of lipids and lipid-like molecules. The compound has the formula C27H36O6S and an average molecular weight of 488.64 g/mol.</description> <cas nil="true"/> <pubchem-id nil="true"/> <chemical-formula>C27H36O6S</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">2026-04-05T03:41:14Z</created-at> <updated-at type="dateTime">2026-04-05T03:41:14Z</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]C1(C[C@@]2(CC[C@@]3([H])[C@]4([H])C([H])(CC5=CC(=O)CC[C@]5(C)[C@@]4([H])CC[C@]23C)SC(C)=O)OC1=O)C(=O)OCC</moldb-smiles> <moldb-formula>C27H36O6S</moldb-formula> <moldb-inchi>InChI=1/C27H36O6S/c1-5-32-23(30)18-14-27(33-24(18)31)11-8-20-22-19(7-10-26(20,27)4)25(3)9-6-17(29)12-16(25)13-21(22)34-15(2)28/h12,18-22H,5-11,13-14H2,1-4H3</moldb-inchi> <moldb-inchikey>KRLMIXGEJNGQOO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">488.64</moldb-average-mass> <moldb-mono-mass type="decimal">488.2232599</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>CHEM091682</chemdb-id> <dsstox-id>DTXSID90968640</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00057804</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>Steroid lactones</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0092701</sync-id> <structure-inchikey>KRLMIXGEJNGQOO-BZUSAFKGSA-N</structure-inchikey> <structure-fingerprint>800000000000000088800000080000001000000000000000000001002000000000000200002c000000000000000000000000400000000000000100000080010042000010020000000000000000000020800005000100000000000000000000000000010000004040020000000000000000020004080080000000000000500000000048000100000010000000000000200000000000000000020000000420220000000004000000000000080000000000000800000080008000000000000000000000000020000000000000400000000104000000002000200040000000000000000000000000000040080000000400000400000000000801000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������"���&���€���0�������`������ $�������`�������`������ 4������� 4��������0�������`�������(�������h��������(�������(�������`�������`������ $�������`������ 4��������`�������`������ $�������`������� ������(�������`�������(�������(�������(�������(�������(�������(�������(�������`�������`������������������������������� � (� � ��(�� � ����������������������������������������� ��(������(��� � � !�������������� �B������������������� ���� � �� �����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:36:37Z</structure-indexed-at> </compound>