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Monascorubrin

  • Formula: C23H26O5

  • Molecular weight: 382.40

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

  • Type: Furobenzofuran

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Monascorubrin

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

  • Mycotoxin name: Monascorubrin

  • First synonym: Monascorubrin

  • Synonyms: Monascorubrin,Monasred,13283-90-4,UNII-PRW98QJ428,PRW98QJ428,(9aR)-9a-methyl-3-octanoyl-6-[(E)-prop-1-enyl]furo[3,2-g]isochromene-2,9-dione,CCRIS 7225,CHEMBL1215464,CHEBI:156408,ZINC58568858,2H-Furo(3,2-g)(2)benzopyran-2,9(9aH)-dione, 9a-methyl-3-(1-oxooctyl)-6-(1-propenyl)-, (R-(E))-,Q27286726,(9aR)-9a-methyl-3-octanoyl-6-[(1E)-prop-1-en-1-yl]-2H-furo[3,2-g][2]benzopyran-2,9(9aH)-dione,(9aR)-9a-methyl-3-octanoyl-6-[(1E)-prop-1-en-1-yl]-2H-furo[3,2-g]isochromene-2,9(9aH)-dione

Identifiers / External links

Structure

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

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

  • Inchi: InChI=1S/C23H26O5/c1-4-6-7-8-9-11-19(24)20-18-13-15-12-16(10-5-2)27-14-17(15)21(25)23(18,3)28-22(20)26/h5,10,12-14H,4,6-9,11H2,1-3H3/b10-5+/t23-/m1/s1

  • Inchikey: IIPVSGPTPPURBD-HAOIVFDCSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C23H26O5

  • Molecular weight: 382.40

  • Monoisotopic mass: 382.17802393

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