349952 <common-name>[(5r,6r)-5,6-dihydroxy-2-methyl-6-[(2s,3r,5r,9r,10r,11r,13r,14s,17s)-2,3,11,14-tetrahydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl]heptan-2-yl] acetate</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>127053212</pubchem-id> <chemical-formula>C29H46O9</chemical-formula> <weight>538.7</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">2026-08-31T14:46:11Z</created-at> <updated-at type="dateTime">2026-08-31T14:46:11Z</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(=O)OC(C)(C)CCC(C(C)(C1CCC2(C1(CC(C3C2=CC(=O)C4C3(CC(C(C4)O)O)C)O)C)O)O)O</moldb-smiles> <moldb-formula>C29H46O9</moldb-formula> <moldb-inchi>InChI=1S/C29H46O9/c1-15(30)38-25(2,3)9-8-23(35)28(6,36)22-7-10-29(37)17-12-18(31)16-11-19(32)20(33)13-26(16,4)24(17)21(34)14-27(22,29)5/h12,16,19-24,32-37H,7-11,13-14H2,1-6H3/t16-,19+,20-,21+,22-,23+,24+,26-,27+,28+,29+/m0/s1</moldb-inchi> <moldb-inchikey>CSIOSPOYAIWNMK-MWPSDTLYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">538.314183</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-0.1</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>CHEM345845</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>[(5r,6r)-5,6-dihydroxy-2-methyl-6-[(2s,3r,5r,9r,10r,11r,13r,14s,17s)-2,3,11,14-tetrahydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl]heptan-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>Bile acids, alcohols and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0300275</sync-id> <structure-inchikey>CSIOSPOYAIWNMK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>60000000000000000010880410002000000000000004400002000000110000000000000010000020000000000000000000800000000000000002000001000000000200000000000000000000000000000020000201000140000010001000000000040000010000200000400040000000000000020000200040000000000000500010000048000000040000000000000020200004000000000000000000400022000800080004000040000000080500000000000800000000060000000004008008000000000000000000000000000000200000000000000000000000000000000000000000000000000040000000080400002002000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������&���)���€���`�������(�������(�������(������� ������`�������`�������`�������`�������`������� ������`�������`�������`�������`������� ������ ������`�������`�������`�������(�������h��������(�������(�������`������� ������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�����������(��� ���������������� � � �� ��� � ����������������������(��� ��(�������������������������� ��!��"��#� $� %�������������B������ ����������������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:47:59Z</structure-indexed-at> </compound>