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Prochaetoglobosin ii

  • Formula: C32H36N2O3

  • Molecular weight: 496.60

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

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Prochaetoglobosin ii

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

Names

  • Mycotoxin name: Prochaetoglobosin ii

  • First synonym: Prochaetoglobosin ii

  • Synonyms: Prochaetoglobosin II,CHEBI:68740,Q27137159,(3S,3aR,4S,6aS,7E,10S,11E,15Z,17aS)-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-2,3,3a,4,6a,9,10,13-octahydro-1H-cyclotrideca[d]isoindole-1,14,17-trione

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Structure

  • Smiles: CC1CC=CC2C=C(C(C3C2(C(=O)C=CC(=O)CC(=C1)C)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(=O)C/C(=C1)/C)C(=O)N[C@H]3CC4=CNC5=CC=CC=C54)C)C

  • Inchi: InChI=1S/C32H36N2O3/c1-19-8-7-9-24-16-21(3)22(4)30-28(17-23-18-33-27-11-6-5-10-26(23)27)34-31(37)32(24,30)29(36)13-12-25(35)15-20(2)14-19/h5-7,9-14,16,18-19,22,24,28,30,33H,8,15,17H2,1-4H3,(H,34,37)/b9-7+,13-12-,20-14+/t19-,22+,24-,28-,30-,32+/m0/s1

  • Inchikey: ZWMGAOFPDWVLLV-WVXRVHBYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C32H36N2O3

  • Molecular weight: 496.60

  • Monoisotopic mass: 496.27259301

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