32795 <common-name>Spirolide C</common-name> <description nil="true"/> <cas>318996-49-5</cas> <pubchem-id nil="true"/> <chemical-formula>C43H63NO7</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">2016-05-26T02:50:46Z</created-at> <updated-at type="dateTime">2026-04-06T10:29:19Z</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)\[C@@]([H])(O)C[C@@]2([H])O[C@]3(CC[C@]4(O3)O[C@@]([H])(CC[C@@]4(C)O)CC(=C)CCCC3=NC[C@]([H])(C)[C@@]([H])(C)C[C@@]33CCC(=C(C)[C@]13[H])C1([H])OC(=O)C(C)=C1)C[C@@]2([H])C</moldb-smiles> <moldb-formula>C43H63NO7</moldb-formula> <moldb-inchi>InChI=1S/C43H63NO7/c1-25-10-9-11-38-41(22-28(4)30(6)24-44-38)15-13-33(37-20-27(3)39(46)48-37)31(7)34(41)19-26(2)35(45)21-36-29(5)23-42(50-36)16-17-43(51-42)40(8,47)14-12-32(18-25)49-43/h19-20,28-30,32,34-37,45,47H,1,9-18,21-24H2,2-8H3/b26-19-/t28-,29+,30-,32-,34-,35-,36+,37?,40+,41+,42-,43+/m0/s1</moldb-inchi> <moldb-inchikey>BDNZANPABAQRBQ-CYPDDJJMSA-N</moldb-inchikey> <moldb-average-mass type="decimal">705.977</moldb-average-mass> <moldb-mono-mass type="decimal">705.460453373</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>CHEM031690</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00120344</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>106.81000000000002</moldb-polar-surface-area> <moldb-refractivity>200.4828</moldb-refractivity> <moldb-polarizability>80.49581066038077</moldb-polarizability> <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count> <moldb-acceptor-count>7</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>13.020586077127607</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>8.334230733634778</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>7</moldb-number-of-rings> <moldb-alogps-logp>4.95</moldb-alogps-logp> <moldb-alogps-logs>-6.10</moldb-alogps-logs> <moldb-alogps-solubility>5.65e-04 g/l</moldb-alogps-solubility> </compound>