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Terretonin a

  • Formula: C26H32O8

  • Molecular weight: 472.50

  • Smiles: CC1(C(=O)CCC2(C1=C(C(=O)C3(C2CC(=C)C4(C3C(=O)OC(C4=O)(C)C(=O)OC)C)C)O)C)C

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Terretonin a

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

Names

  • Mycotoxin name: Terretonin a

  • First synonym: Terretonin a

  • Synonyms: Terretonin A,methyl (2R,4aS,4bR,10aR,10bR,12aR)-6-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,5,8-tetraoxo-9,10,10b,11-tetrahydro-4aH-naphtho[1,2-h]isochromene-2-carboxylate,CHEMBL470042,BDBM50478873,865092-86-0

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Structure

  • Smiles: CC1(C(=O)CCC2(C1=C(C(=O)C3(C2CC(=C)C4(C3C(=O)OC(C4=O)(C)C(=O)OC)C)C)O)C)C

  • Isomeric smiles: C[C@]12CCC(=O)C(C1=C(C(=O)[C@@]3([C@@H]2CC(=C)[C@]4([C@H]3C(=O)O[C@@](C4=O)(C)C(=O)OC)C)C)O)(C)C

  • Inchi: InChI=1S/C26H32O8/c1-12-11-13-23(4)10-9-14(27)22(2,3)16(23)15(28)18(29)25(13,6)17-19(30)34-26(7,21(32)33-8)20(31)24(12,17)5/h13,17,28H,1,9-11H2,2-8H3/t13-,17-,23-,24+,25-,26-/m1/s1

  • Inchikey: GTEJJXOFLPCZGJ-DOFPOEDPSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C26H32O8

  • Molecular weight: 472.50

  • Monoisotopic mass: 472.20971797

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