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Thiersindole c

  • Formula: C28H39NO

  • Molecular weight: 405.60

  • Smiles: CC1CCC2=C(C1(C)CC3=CNC4=CC=CC=C43)CCC(C2(C)CCC=C(C)C)O

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Thiersindole c

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

Names

  • Mycotoxin name: Thiersindole c

  • First synonym: Thiersindole c

  • Synonyms: Thiersindole C

Identifiers / External links

Structure

  • Smiles: CC1CCC2=C(C1(C)CC3=CNC4=CC=CC=C43)CCC(C2(C)CCC=C(C)C)O

  • Isomeric smiles: C[C@H]1CCC2=C([C@]1(C)CC3=CNC4=CC=CC=C43)CC[C@@H]([C@@]2(C)CCC=C(C)C)O

  • Inchi: InChI=1S/C28H39NO/c1-19(2)9-8-16-27(4)23-13-12-20(3)28(5,24(23)14-15-26(27)30)17-21-18-29-25-11-7-6-10-22(21)25/h6-7,9-11,18,20,26,29-30H,8,12-17H2,1-5H3/t20-,26-,27-,28+/m0/s1

  • Inchikey: OCYNSSRIJRLWML-QGQKXLEHSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C28H39NO

  • Molecular weight: 405.60

  • Monoisotopic mass: 405.303164868

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