351810 <common-name>[(3s,4r,6e)-6-[(3s,5s,6s,8s,9s,10r,13s,14s,16s)-16-hydroperoxy-3,5,6-trihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1h-cyclopenta[a]phenanthren-17-ylidene]-2,3,4-trimethylheptan-2-yl] acetate</common-name> <description>[(3s,4r,6e)-6-[(3s,5s,6s,8s,9s,10r,13s,14s,16s)-16-hydroperoxy-3,5,6-trihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1h-cyclopenta[a]phenanthren-17-ylidene]-2,3,4-trimethylheptan-2-yl] acetate is a chemical compound with the formula C31H52O7. With an average molecular weight of 536.70 g/mol, [(3s,4r,6e)-6-[(3s,5s,6s,8s,9s,10r,13s,14s,16s)-16-hydroperoxy-3,5,6-trihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1h-cyclopenta[a]phenanthren-17-ylidene]-2,3,4-trimethylheptan-2-yl] acetate is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>163114062</pubchem-id> <chemical-formula>C31H52O7</chemical-formula> <weight>536.7</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">2026-08-31T17:44:53Z</created-at> <updated-at type="dateTime">2026-08-31T17:44:53Z</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>CC(CC(=C1C(CC2C1(CCC3C2CC(C4(C3(CCC(C4)O)C)O)O)C)OO)C)C(C)C(C)(C)OC(=O)C</moldb-smiles> <moldb-formula>C31H52O7</moldb-formula> <moldb-inchi>InChI=1S/C31H52O7/c1-17(19(3)28(5,6)37-20(4)32)13-18(2)27-25(38-36)15-24-22-14-26(34)31(35)16-21(33)9-12-30(31,8)23(22)10-11-29(24,27)7/h17,19,21-26,33-36H,9-16H2,1-8H3/b27-18-/t17-,19+,21+,22-,23+,24+,25+,26+,29+,30-,31-/m1/s1</moldb-inchi> <moldb-inchikey>UOFXQDRLLWOZKL-OZUCIETCSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">536.371304</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.7</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>CHEM347703</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>[(3s,4r,6e)-6-[(3s,5s,6s,8s,9s,10r,13s,14s,16s)-16-hydroperoxy-3,5,6-trihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1h-cyclopenta[a]phenanthren-17-ylidene]-2,3,4-trimethylheptan-2-yl] acetate</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>Ergostane steroids</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0302108</sync-id> <structure-inchikey>UOFXQDRLLWOZKL-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000010804000002000000000000000000000000000010000010000041000000c0000000000000000000080000000000000000040000000000001004004001000000002000000020000002000000120010120000400000000800100000001000040000000000800000000000002000000400040000000000050001000004c000000000000000000002020200000000000000000040000400020002800000004080000000000080000000000000800000000000000000000001001000000000000000000000002000000000400000000104002000000000000400000000000000000008000080000000400000000000000000000001000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������&���)���€���`�������`�������`�������(�������(�������`�������`�������`������� ������`�������`�������`�������`�������`�������`������� ������ ������`�������`�������`�������`�������`�������`�������`�������`�������`������� ������`�������`�������`�������`������� ������`�������`�������(�������(�������(�������`�������������������������������� � � ������ � ������������������������������������������������������ ��!��"�"# #$(�#%�������������B����������� ����� ����������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:49:41Z</structure-indexed-at> </compound>