348831 <common-name>[(2s,3r,4r,5s)-2-[(2r,4r,5s,7s,12s,16s)-4,5-dihydroxy-2,16-dimethyl-8-oxo-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-15-yl]-4-hydroxy-5,6-dimethylheptan-3-yl] hydrogen sulfate</common-name> <description>[(2s,3r,4r,5s)-2-[(2r,4r,5s,7s,12s,16s)-4,5-dihydroxy-2,16-dimethyl-8-oxo-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-15-yl]-4-hydroxy-5,6-dimethylheptan-3-yl] hydrogen sulfate is a compound with the formula C28H48O9S. With an average molecular weight of 560.70 g/mol, [(2s,3r,4r,5s)-2-[(2r,4r,5s,7s,12s,16s)-4,5-dihydroxy-2,16-dimethyl-8-oxo-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-15-yl]-4-hydroxy-5,6-dimethylheptan-3-yl] hydrogen sulfate is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>126961120</pubchem-id> <chemical-formula>C28H48O9S</chemical-formula> <weight>560.7</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">2026-08-31T13:01:30Z</created-at> <updated-at type="dateTime">2026-08-31T13:01:30Z</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(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2COC(=O)C4C3(CC(C(C4)O)O)C)C)OS(=O)(=O)O)O</moldb-smiles> <moldb-formula>C28H48O9S</moldb-formula> <moldb-inchi>InChI=1S/C28H48O9S/c1-14(2)15(3)24(31)25(37-38(33,34)35)16(4)18-7-8-19-17-13-36-26(32)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-31H,7-13H2,1-6H3,(H,33,34,35)/t15-,16-,17?,18?,19-,20?,21+,22-,23+,24+,25+,27+,28+/m0/s1</moldb-inchi> <moldb-inchikey>MDJSEODEPHDJBE-XZDDVQLQSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">560.3019043</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.5</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>CHEM344724</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>[(2s,3r,4r,5s)-2-[(2r,4r,5s,7s,12s,16s)-4,5-dihydroxy-2,16-dimethyl-8-oxo-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-15-yl]-4-hydroxy-5,6-dimethylheptan-3-yl] hydrogen sulfate</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 lactones</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0299159</sync-id> <structure-inchikey>MDJSEODEPHDJBE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>408000000000000000000000804008000000008000004000020000001000100000000010000000200000000200000000000000000000004000000000400000000100400000002000000080000002000200208002010401000000000000000000000000010100000400004000400000000000000200040000000000000000001000004000480000000000000000000000002000000000200000000000004000200008000001040000000000000c00000000000110000000000c0000000000000000001000000000401100000000000000000000000000000000000008001400000000000000000000000000000000000010000003000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAmAAAAKQAAAIABBgBgAAAAAQMGAGAAAAAD AQYAYAAAAAEDBgBgAAAAAwEGAGAAAAABAwYAYAAAAAMBBgBgAAAAAwEGAGAA AAADAQYAYAAAAAEDBgBgAAAAAwEGAGAAAAACAgYAYAAAAAICBgBgAAAAAwEG ACAAAAAEBgBgAAAAAgIGAGAAAAACAgYAYAAAAAMBBgBgAAAAAwEGAGAAAAAC AggAKAAAAAMCBgAoAAAAAwQIACgAAAADAgYAYAAAAAMBBgAgAAAABAYAYAAA AAICBgBgAAAAAwEGAGAAAAADAQYAYAAAAAICCABgAAAAAQEIAGAAAAABAQYA YAAAAAEDBgBgAAAAAQMIACAAAAACEAAgAAAABggAKAAAAAMCCAAoAAAAAwII AGAAAAABAQgAYAAAAAEBCwABAAECAAEDAAMEAAMFAAUGAAYHAAcIAAcJAAkK AAoLAAsMAAwNAA0OAA4PAA8QABARABESABITABMUIBQVKAIUFgAWFwAXGAAY GQAZGgAaGwAaHAAZHQAXHgANHwAGIAAgIQAhIggCISMIAiEkAAUlAA0JABEM ABcQABsWAEIEAAAABQkKCwwNBg4PEBEMDQcSERAXFhQTBhgZGhsWFxcEAAAA AAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:47:05Z</structure-indexed-at> </compound>