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Rubropunctamine

  • Formula: C21H23NO4

  • Molecular weight: 353.40

  • Smiles: CCCCCC(=C1C2=CC3=CC(=NC=C3C(=O)C2(OC1=O)C)C=CC)O

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Rubropunctamine

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

Names

  • Mycotoxin name: Rubropunctamine

  • First synonym: Rubropunctamine

  • Synonyms: Rubropunctamine,(9aR)-3-hexanoyl-9a-methyl-6-[(E)-prop-1-enyl]-7H-furo[3,2-g]isoquinoline-2,9-dione,514-66-9

Identifiers / External links

Structure

  • Smiles: CCCCCC(=C1C2=CC3=CC(=NC=C3C(=O)C2(OC1=O)C)C=CC)O

  • Isomeric smiles: CCCCC/C(=C\1/C2=CC3=CC(=NC=C3C(=O)[C@@]2(OC1=O)C)/C=C/C)/O

  • Inchi: InChI=1S/C21H23NO4/c1-4-6-7-9-17(23)18-16-11-13-10-14(8-5-2)22-12-15(13)19(24)21(16,3)26-20(18)25/h5,8,10-12,23H,4,6-7,9H2,1-3H3/b8-5+,18-17+/t21-/m1/s1

  • Inchikey: WTEXYKPGDKLLCW-CLFFMEQDSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C21H23NO4

  • Molecular weight: 353.40

  • Monoisotopic mass: 353.16270821

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