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Tubingensin b

  • Formula: C28H35NO

  • Molecular weight: 401.60

  • Smiles: CC1CCC(C23C1(CCC(CC2)(C4=C3C=C5C6=CC=CC=C6NC5=C4)C(C)C)C)O

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Tubingensin b

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

Names

  • Mycotoxin name: Tubingensin b

  • First synonym: Tubingensin b

  • Synonyms: Tubingensin B

Identifiers / External links

Structure

  • Smiles: CC1CCC(C23C1(CCC(CC2)(C4=C3C=C5C6=CC=CC=C6NC5=C4)C(C)C)C)O

  • Isomeric smiles: C[C@@H]1CC[C@@H]([C@]23[C@]1(CC[C@](CC2)(C4=C3C=C5C6=CC=CC=C6NC5=C4)C(C)C)C)O

  • Inchi: InChI=1S/C28H35NO/c1-17(2)27-12-11-26(4)18(3)9-10-25(30)28(26,14-13-27)22-15-20-19-7-5-6-8-23(19)29-24(20)16-21(22)27/h5-8,15-18,25,29-30H,9-14H2,1-4H3/t18-,25+,26+,27-,28+/m1/s1

  • Inchikey: VQBYLQIQOJUYEJ-ZARMMOAGSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C28H35NO

  • Molecular weight: 401.60

  • Monoisotopic mass: 401.27186474

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