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Emindole sA

  • Formula: C28H39NO

  • Molecular weight: 405.60

  • Smiles: CC(=CCCC1(C2CCC(=C)C(C2(CCC1O)C)CC3=CC4=CC=CC=C4N3)C)C

  • Type: Indole terpenoid

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Emindole sA

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

  • Mycotoxin name: Emindole sA

  • First synonym: None

  • Synonyms:

Identifiers / External links

Structure

  • Smiles: CC(=CCCC1(C2CCC(=C)C(C2(CCC1O)C)CC3=CC4=CC=CC=C4N3)C)C

  • Isomeric smiles: CC(=CCC[C@]1([C@@H]2CCC(=C)[C@@H]([C@]2(CC[C@@H]1O)C)CC3=CC4=CC=CC=C4N3)C)C

  • Inchi: InChI=1S/C28H39NO/c1-19(2)9-8-15-28(5)25-13-12-20(3)23(27(25,4)16-14-26(28)30)18-22-17-21-10-6-7-11-24(21)29-22/h6-7,9-11,17,23,25-26,29-30H,3,8,12-16,18H2,1-2,4-5H3/t23-,25+,26-,27+,28-/m0/s1

  • Inchikey: QZAFQNYKKMCQDD-WNUYLXMCSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C28H39NO

  • Molecular weight: 405.60

  • Monoisotopic mass: 405.303164868

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