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Chaetoglobosin t

  • Formula: C32H38N2O3

  • Molecular weight: 498.70

  • Smiles: CC1CC=CC2C=C(C(C3C2(C(=O)C=CCC(C(=C1)C)O)C(=O)NC3CC4=CNC5=CC=CC=C54)C)C

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Chaetoglobosin t

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

Names

  • Mycotoxin name: Chaetoglobosin t

  • First synonym: Chaetoglobosin t

  • Synonyms: chaetoglobosin T,CHEBI:68738,Cheatoglobosin T,CHEMBL520219,Q27137157,(3S,3aR,4S,6aS,7E,10S,11E,13S,15E,17aS)-13-hydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-3,3a,4,6a,9,10,13,14-octahydro-1H-cyclotrideca[d]isoindole-1,17(2H)-dione

Identifiers / External links

Structure

  • Smiles: CC1CC=CC2C=C(C(C3C2(C(=O)C=CCC(C(=C1)C)O)C(=O)NC3CC4=CNC5=CC=CC=C54)C)C

  • Isomeric smiles: C[C@H]\1C/C=C/[C@H]2C=C([C@H]([C@@H]3[C@@]2(C(=O)/C=C/C[C@@H](/C(=C1)/C)O)C(=O)N[C@H]3CC4=CNC5=CC=CC=C54)C)C

  • Inchi: InChI=1S/C32H38N2O3/c1-19-9-7-10-24-16-20(2)22(4)30-27(17-23-18-33-26-12-6-5-11-25(23)26)34-31(37)32(24,30)29(36)14-8-13-28(35)21(3)15-19/h5-8,10-12,14-16,18-19,22,24,27-28,30,33,35H,9,13,17H2,1-4H3,(H,34,37)/b10-7+,14-8+,21-15+/t19-,22+,24-,27-,28-,30-,32+/m0/s1

  • Inchikey: KJNZESBAHPOZTI-DYGSJVQXSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C32H38N2O3

  • Molecular weight: 498.70

  • Monoisotopic mass: 498.28824308

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