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Speradine a

  • Formula: C21H22N2O4

  • Molecular weight: 366.40

  • Smiles: CC(=O)C1=C(C2C3C(CC4=C5C3C(=O)N(C5=CC=C4)C)C(N2C1=O)(C)C)O

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Speradine a

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

Names

  • Mycotoxin name: Speradine a

  • First synonym: Speradine a

  • Synonyms: SPERADINE A,566943-74-6

Identifiers / External links

Structure

  • Smiles: CC(=O)C1=C(C2C3C(CC4=C5C3C(=O)N(C5=CC=C4)C)C(N2C1=O)(C)C)O

  • Isomeric smiles: CC(=O)C1=C([C@@H]2[C@@H]3[C@@H](CC4=C5[C@H]3C(=O)N(C5=CC=C4)C)C(N2C1=O)(C)C)O

  • Inchi: InChI=1S/C21H22N2O4/c1-9(24)13-18(25)17-15-11(21(2,3)23(17)20(13)27)8-10-6-5-7-12-14(10)16(15)19(26)22(12)4/h5-7,11,15-17,25H,8H2,1-4H3/t11-,15-,16-,17+/m1/s1

  • Inchikey: AFKWDZPLWYIREO-AHBIMHKDSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C21H22N2O4

  • Molecular weight: 366.40

  • Monoisotopic mass: 366.15795719

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