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20-Hydroxyaflavinine

  • Formula: C28H39NO2

  • Molecular weight: 421.60

  • Smiles: CC1CCC(C23C1(C(CC(C2C(=C(CC3)C(C)C)C4=CNC5=CC=CC=C54)C)O)C)O

  • Type: Indole

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20-Hydroxyaflavinine

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

Names

  • Mycotoxin name: 20-Hydroxyaflavinine

  • First synonym: None

  • Synonyms: 20-Hydroxyaflavinine,116865-08-8,(1S,4R,4As,5R,7R,7aS,11aS)-8-(1H-indol-3-yl)-4,4a,7-trimethyl-9-propan-2-yl-1,2,3,4,5,6,7,7a,10,11-decahydrobenzo[d]naphthalene-1,5-diol,AKOS040761023,F92909

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Structure

  • Smiles: CC1CCC(C23C1(C(CC(C2C(=C(CC3)C(C)C)C4=CNC5=CC=CC=C54)C)O)C)O

  • Isomeric smiles: C[C@@H]1CC[C@@H]([C@]23[C@]1([C@@H](C[C@H]([C@H]2C(=C(CC3)C(C)C)C4=CNC5=CC=CC=C54)C)O)C)O

  • Inchi: InChI=1S/C28H39NO2/c1-16(2)19-12-13-28-23(30)11-10-18(4)27(28,5)24(31)14-17(3)26(28)25(19)21-15-29-22-9-7-6-8-20(21)22/h6-9,15-18,23-24,26,29-31H,10-14H2,1-5H3/t17-,18-,23+,24-,26+,27-,28+/m1/s1

  • Inchikey: GVGMWTZTHQRHRE-GSJQUQQQSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C28H39NO2

  • Molecular weight: 421.60

  • Monoisotopic mass: 421.298079487

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