62819 <common-name>Cholesteryl butyrate</common-name> <description>Cholesteryl butyrate belongs to the steroid esters, a subclass of steroids and steroid derivatives within the organic compounds. This lipid-like molecule has the chemical formula C31H52O2 and an average molecular weight of 456.75 g/mol.</description> <cas nil="true"/> <pubchem-id>525278</pubchem-id> <chemical-formula>C31H52O2</chemical-formula> <weight>456.7</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">2026-04-02T22:35:25Z</created-at> <updated-at type="dateTime">2026-08-22T10:44:14Z</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][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCC)[C@H](C)CCCC(C)C</moldb-smiles> <moldb-formula>C31H52O2</moldb-formula> <moldb-inchi>InChI=1S/C31H52O2/c1-7-9-29(32)33-24-16-18-30(5)23(20-24)12-13-25-27-15-14-26(22(4)11-8-10-21(2)3)31(27,6)19-17-28(25)30/h12,21-22,24-28H,7-11,13-20H2,1-6H3/t22-,24+,25+,26-,27+,28+,30+,31-/m1/s1</moldb-inchi> <moldb-inchikey>CKDZWMVGDHGMFR-GTPODGLVSA-N</moldb-inchikey> <moldb-average-mass type="decimal">456.755</moldb-average-mass> <moldb-mono-mass type="decimal">456.396731</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>9.9</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>457971</chemspider-id> <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>CHEM058712</chemdb-id> <dsstox-id>DTXSID101341216</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00013456</susdat-id> <iupac>[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] butanoate</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>Steroids and steroid derivatives</klass> <subklass>Steroid esters</subklass> <paper-count type="integer">85</paper-count> <sync-id>CED0020015</sync-id> <structure-inchikey>CKDZWMVGDHGMFR-GTPODGLVSA-N</structure-inchikey> <structure-fingerprint>41808000000000000000800000400100000020000000000000000000010010000000001002000000000000000000000000000200000000002000000000000080010040000000200000000200000200000020000000200100000000001000400000000020010000000000020000000000000000020000000000000000000000100000000048000000000000000200000000200000000000000000000000000420080000000006000000040000082000400000000000000000040000000020000000001008000000000000000000000000000000040000028000000000000004010000800000000100080040080000010400000001000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������!���$���€�� 4��������`�������`������ 4������� 4��������`�������h��������(�������`������ 4��������`�������`������ $�������`������ 4��������`�������`������ $�������`�������(�������(�������(�������`�������`�������`������ 4��������`�������`�������`�������`�������`�������`�������`�������������������������������� � � ������ ���������������� ���� ��(�������������������������������� �������������B������������������� ��������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:15:50Z</structure-indexed-at> </compound>