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Epiamauromine

  • Formula: C32H36N4O2

  • Molecular weight: 508.70

  • Smiles: CC(C)(C=C)C12CC3C(=O)N4C(CC5(C4NC6=CC=CC=C65)C(C)(C)C=C)C(=O)N3C1NC7=CC=CC=C27

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Epiamauromine

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

  • Mycotoxin name: Epiamauromine

  • First synonym: (-)-epiamauromine

  • Synonyms: (-)-Epiamauromine

Identifiers / External links

Structure

  • Smiles: CC(C)(C=C)C12CC3C(=O)N4C(CC5(C4NC6=CC=CC=C65)C(C)(C)C=C)C(=O)N3C1NC7=CC=CC=C27

  • Isomeric smiles: CC(C)(C=C)[C@]12C[C@H]3C(=O)N4[C@@H](C[C@@]5([C@H]4NC6=CC=CC=C65)C(C)(C)C=C)C(=O)N3[C@H]1NC7=CC=CC=C27

  • Inchi: InChI=1S/C32H36N4O2/c1-7-29(3,4)31-17-23-25(37)36-24(26(38)35(23)27(31)33-21-15-11-9-13-19(21)31)18-32(30(5,6)8-2)20-14-10-12-16-22(20)34-28(32)36/h7-16,23-24,27-28,33-34H,1-2,17-18H2,3-6H3/t23-,24-,27-,28+,31+,32-/m0/s1

  • Inchikey: VKEAHNPKYMHYJJ-HBAMWUQZSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C32H36N4O2

  • Molecular weight: 508.70

  • Monoisotopic mass: 508.2838264

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