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Rubropunctatin

  • Formula: C21H22O5

  • Molecular weight: 354.40

  • Smiles: CCCCCC(=O)C1=C2C=C3C=C(OC=C3C(=O)C2(OC1=O)C)C=CC

  • Type: Furobenzofuran

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Rubropunctatin

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

Names

  • Mycotoxin name: Rubropunctatin

  • First synonym: Rubropunctatin

  • Synonyms: Rubropunctatin,514-67-0,(9aR)-3-hexanoyl-9a-methyl-6-[(E)-prop-1-enyl]furo[3,2-g]isochromene-2,9-dione,Rubropunctatine,CHEMBL1215465,(R-(E))-9a-Methyl-3-(1-oxohexyl)-6-(1-propenyl)-2H-furo(3,2-g)(2)benzopyran-2,9(9aH)-dione,2H-Furo(3,2-g)(2)benzopyran-2,9(9aH)-dione, 9a-methyl-3-(1-oxohexyl)-6-(1-propenyl)-, (R-(E))-,(R,E)-3-Hexanoyl-9a-methyl-6-(prop-1-en-1-yl)-2H-furo[3,2-g]isochromene-2,9(9aH)-dione

Identifiers / External links

Structure

  • Smiles: CCCCCC(=O)C1=C2C=C3C=C(OC=C3C(=O)C2(OC1=O)C)C=CC

  • Isomeric smiles: CCCCCC(=O)C1=C2C=C3C=C(OC=C3C(=O)[C@@]2(OC1=O)C)/C=C/C

  • Inchi: InChI=1S/C21H22O5/c1-4-6-7-9-17(22)18-16-11-13-10-14(8-5-2)25-12-15(13)19(23)21(16,3)26-20(18)24/h5,8,10-12H,4,6-7,9H2,1-3H3/b8-5+/t21-/m1/s1

  • Inchikey: SULYDLFVUNXAMP-WKOQKXSESA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C21H22O5

  • Molecular weight: 354.40

  • Monoisotopic mass: 354.1467238

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