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Emindole pa

  • Formula: C33H47NO2

  • Molecular weight: 489.70

  • Smiles: CC1(C(CCC2C1=CCC3C2(CCC(O3)C(C)(C)O)C)CC4=C(NC5=CC=CC=C54)C(C)(C)C=C)C

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Emindole pa

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

  • Mycotoxin name: Emindole pa

  • First synonym: Emindole pa

  • Synonyms: Emindole PA

Identifiers / External links

Structure

  • Smiles: CC1(C(CCC2C1=CCC3C2(CCC(O3)C(C)(C)O)C)CC4=C(NC5=CC=CC=C54)C(C)(C)C=C)C

  • Isomeric smiles: C[C@@]12CC[C@H](O[C@H]1CC=C3[C@H]2CC[C@H](C3(C)C)CC4=C(NC5=CC=CC=C54)C(C)(C)C=C)C(C)(C)O

  • Inchi: InChI=1S/C33H47NO2/c1-9-30(2,3)29-23(22-12-10-11-13-26(22)34-29)20-21-14-15-25-24(31(21,4)5)16-17-28-33(25,8)19-18-27(36-28)32(6,7)35/h9-13,16,21,25,27-28,34-35H,1,14-15,17-20H2,2-8H3/t21-,25+,27-,28-,33-/m0/s1

  • Inchikey: JVKLVZYMLNTAKF-KNGWZUEQSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C33H47NO2

  • Molecular weight: 489.70

  • Monoisotopic mass: 489.360679742

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