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Thiersindole b

  • Formula: C28H39NO

  • Molecular weight: 405.60

  • Smiles: CC1CCC23C(C1(C)CC4=CNC5=CC=CC=C54)CCC(C2(CCC3=C(C)C)C)O

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Thiersindole b

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

Names

  • Mycotoxin name: Thiersindole b

  • First synonym: Thiersindole b

  • Synonyms: Thiersindole B

Identifiers / External links

Structure

  • Smiles: CC1CCC23C(C1(C)CC4=CNC5=CC=CC=C54)CCC(C2(CCC3=C(C)C)C)O

  • Isomeric smiles: C[C@H]1CC[C@]23[C@H]([C@]1(C)CC4=CNC5=CC=CC=C54)CC[C@@H]([C@]2(CCC3=C(C)C)C)O

  • Inchi: InChI=1S/C28H39NO/c1-18(2)22-13-14-27(5)25(30)11-10-24-26(4,19(3)12-15-28(22,24)27)16-20-17-29-23-9-7-6-8-21(20)23/h6-9,17,19,24-25,29-30H,10-16H2,1-5H3/t19-,24-,25-,26+,27+,28-/m0/s1

  • Inchikey: YPVANRVLBISMCS-HCCSKZQKSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C28H39NO

  • Molecular weight: 405.60

  • Monoisotopic mass: 405.303164868

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