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Talaroconvolutin b

  • Formula: C32H43NO4

  • Molecular weight: 505.70

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

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Talaroconvolutin b

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

  • Mycotoxin name: Talaroconvolutin b

  • First synonym: Talaroconvolutin b

  • Synonyms: Talaroconvolutin B,ZG-1494alpha,CHEMBL524534,3-[[[1,2,4a,5,6,7,8,8abeta-Octahydro-2beta-[(E)-1,3-dimethyl-1-pentenyl]-3,4aalpha,6beta-trimethylnaphthalen]-1beta-yl]carbonyl]-5-hydroxy-5-(4-hydroxybenzyl)-3-pyrrolin-2-one

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Structure

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

  • Inchi: InChI=1S/C32H43NO4/c1-7-19(2)14-21(4)27-22(5)16-31(6)15-20(3)8-13-26(31)28(27)29(35)25-18-32(37,33-30(25)36)17-23-9-11-24(34)12-10-23/h9-12,14,16,18-20,26-28,34,37H,7-8,13,15,17H2,1-6H3,(H,33,36)/b21-14+/t19?,20-,26+,27-,28+,31+,32?/m0/s1

  • Inchikey: DZMMOKIPXHQOJN-KXVCVXEUSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C32H43NO4

  • Molecular weight: 505.70

  • Monoisotopic mass: 505.31920885

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