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Tubingensin a

  • Formula: C28H35NO

  • Molecular weight: 401.60

  • Smiles: CC1CCC(C2(C1(CCC3=CC4=C(C=C32)C5=CC=CC=C5N4)C)CCC=C(C)C)O

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Tubingensin a

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

Names

  • Mycotoxin name: Tubingensin a

  • First synonym: Tubingensin a

  • Synonyms: Tubingensin A,(1S,4R,4aS,13bR)-4,4a-dimethyl-13b-(4-methylpent-3-en-1-yl)-2,3,4,4a,5,6,8,13b-octahydro-1H-naphtho[2,1-b]carbazol-1-ol

Identifiers / External links

Structure

  • Smiles: CC1CCC(C2(C1(CCC3=CC4=C(C=C32)C5=CC=CC=C5N4)C)CCC=C(C)C)O

  • Isomeric smiles: C[C@@H]1CC[C@@H]([C@@]2([C@]1(CCC3=CC4=C(C=C32)C5=CC=CC=C5N4)C)CCC=C(C)C)O

  • Inchi: InChI=1S/C28H35NO/c1-18(2)8-7-14-28-23-17-22-21-9-5-6-10-24(21)29-25(22)16-20(23)13-15-27(28,4)19(3)11-12-26(28)30/h5-6,8-10,16-17,19,26,29-30H,7,11-15H2,1-4H3/t19-,26+,27+,28-/m1/s1

  • Inchikey: BWCQRIGHZTXFEA-AIERRPMVSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C28H35NO

  • Molecular weight: 401.60

  • Monoisotopic mass: 401.27186474

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