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Roseoskyrin

  • Formula: C30H18O9

  • Molecular weight: 522.50

  • Smiles: CC1=CC2=C(C(=C1)O)C(=O)C3=C(C=CC(=C3C2=O)C4=C5C(=C(C=C4)O)C(=O)C6=C(C=C(C(=C6C5=O)O)C)O)O

  • Type: Anthraquinoid dimer

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Roseoskyrin

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: Roseoskyrin

  • First synonym: None

  • Synonyms: ROSEOSKYRIN,NSC361129,18693-27-1,DTXSID90171950,DTXCID0094441,NSC-361129

Identifiers / External links

  • CAS: 18693-27-1

  • PubChem CID: 5458849

  • DSS TOX CID: DTXCID0094441

  • CompTox Chemicals Dashboard (DTXSID): DTXSID90171950

Structure

  • Smiles: CC1=CC2=C(C(=C1)O)C(=O)C3=C(C=CC(=C3C2=O)C4=C5C(=C(C=C4)O)C(=O)C6=C(C=C(C(=C6C5=O)O)C)O)O

  • Isomeric smiles: CC1=CC2=C(C(=C1)O)C(=O)C3=C(C=CC(=C3C2=O)C4=C5C(=C(C=C4)O)C(=O)C6=C(C=C(C(=C6C5=O)O)C)O)O

  • Inchi: InChI=1S/C30H18O9/c1-10-7-14-19(17(33)8-10)28(37)22-15(31)5-3-12(20(22)27(14)36)13-4-6-16(32)23-21(13)29(38)25-24(30(23)39)18(34)9-11(2)26(25)35/h3-9,31-35H,1-2H3

  • Inchikey: PULGOKPDLMTOBV-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C30H18O9

  • Molecular weight: 522.50

  • Monoisotopic mass: 522.09508215

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