30071 <common-name>Desoxylimonin</common-name> <description>Desoxylimonin belongs to the steroid lactones, a subclass of steroids and steroid derivatives within the organic compounds. This lipid and lipid-like molecule has the chemical formula C26H30O7 and an average molecular weight of 454.51 g/mol.</description> <cas>989-23-1</cas> <pubchem-id>100026</pubchem-id> <chemical-formula>C26H30O7</chemical-formula> <weight>454.5</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">2016-05-26T00:49:54Z</created-at> <updated-at type="dateTime">2026-08-22T06:35:51Z</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>CC1(C)OC2CC(=O)OCC22C1CC(=O)C1(C)C2CCC2(C)C(OC(=O)C=C12)C1=COC=C1</moldb-smiles> <moldb-formula>C26H30O7</moldb-formula> <moldb-inchi>InChI=1S/C26H30O7/c1-23(2)16-9-18(27)25(4)15(26(16)13-31-20(28)11-19(26)33-23)5-7-24(3)17(25)10-21(29)32-22(24)14-6-8-30-12-14/h6,8,10,12,15-16,19,22H,5,7,9,11,13H2,1-4H3</moldb-inchi> <moldb-inchikey>QUTATOGBENCRSS-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">454.5122</moldb-average-mass> <moldb-mono-mass type="decimal">454.199153314</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.2</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>90382</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>CHEM028966</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00015861</susdat-id> <iupac>18-(furan-3-yl)-9,9,13,19-tetramethyl-4,8,17-trioxapentacyclo[11.8.0.02,7.02,10.014,19]henicos-14-ene-5,12,16-trione</iupac> <moldb-polar-surface-area>92.04</moldb-polar-surface-area> <moldb-refractivity>116.4977</moldb-refractivity> <moldb-polarizability>46.03769893110574</moldb-polarizability> <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count> <moldb-acceptor-count>4</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>17.617174855238343</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-3.1511373480565514</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>6</moldb-number-of-rings> <moldb-alogps-logp>3.58</moldb-alogps-logp> <moldb-alogps-logs>-4.13</moldb-alogps-logs> <moldb-alogps-solubility>3.34e-02 g/l</moldb-alogps-solubility> <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">5</paper-count> <sync-id>CED0042135</sync-id> <structure-inchikey>QUTATOGBENCRSS-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80000010000000000000000000100000000010000000050000000000020000000000010000080080800000000420000000200000000000200000000000080000000000000000020800000000000200040000022000000001000000000000000000000000000000000020000000000200000000280100000000148030000000000000004000000200000000000000080100000000021000000100004000000000000080000000010800000000000400000000000000000000000000000000000000010000080000000002000000000000200000000000000000004008001002040080000000000000000810000000000000008000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������!���&���€���`������� ������`������� ������`�������`�������(�������(�������(�������`������� ������`�������`�������(�������(������� ������`�������`�������`�������`������� ������`�������`�������(�������(�������(�������h��������(������@(������@h�������@(������@h�������@h���������������������������(��� � � � ������ � ��� ���������������������������� ��(��� ��(������h���h���h�� h������� �h� ��� ����B�������� ����� ��� �� ������������������ ������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:10:22Z</structure-indexed-at> </compound>