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Talaroconvolutin a

  • Formula: C32H41NO3

  • Molecular weight: 487.70

  • Smiles: CCC(C)C=C(C)C1C(C2CCC(CC2(C=C1C)C)C)C(=O)C3=CC(=CC4=CC=C(C=C4)O)NC3=O

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Talaroconvolutin a

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

Names

  • Mycotoxin name: Talaroconvolutin a

  • First synonym: Talaroconvolutin a

  • Synonyms: Talaroconvolutin A,TalaA,(-)-talaroconvolutin A,CHEMBL495874,CHEBI:173105,(5Z)-5-(4-hydroxybenzylidene)-3-({(1R,2S,4aS,6S,8aR)-3,4a,6-trimethyl-2-[(2E)-4-methylhex-2-en-2-yl]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl}carbonyl)-1,5-dihydro-2H-pyrrol-2-one,273199-42-1

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Structure

  • Smiles: CCC(C)C=C(C)C1C(C2CCC(CC2(C=C1C)C)C)C(=O)C3=CC(=CC4=CC=C(C=C4)O)NC3=O

  • Isomeric smiles: CCC(C)/C=C(\C)/[C@@H]1[C@@H]([C@H]2CC[C@@H](C[C@@]2(C=C1C)C)C)C(=O)C3=C/C(=C/C4=CC=C(C=C4)O)/NC3=O

  • Inchi: InChI=1S/C32H41NO3/c1-7-19(2)14-21(4)28-22(5)18-32(6)17-20(3)8-13-27(32)29(28)30(35)26-16-24(33-31(26)36)15-23-9-11-25(34)12-10-23/h9-12,14-16,18-20,27-29,34H,7-8,13,17H2,1-6H3,(H,33,36)/b21-14+,24-15-/t19?,20-,27+,28-,29+,32+/m0/s1

  • Inchikey: QCTUYJGFLVZOTL-NKPJVERHSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C32H41NO3

  • Molecular weight: 487.70

  • Monoisotopic mass: 487.30864417

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