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Prochaetoglobosin iv

  • Formula: C32H38N2O3

  • Molecular weight: 498.70

  • Smiles: CC1CC=CC2C3C(O3)(C(C4C2(C(=O)C=CCCC(=C1)C)C(=O)NC4CC5=CNC6=CC=CC=C65)C)C

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Prochaetoglobosin iv

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

Names

  • Mycotoxin name: Prochaetoglobosin iv

  • First synonym: Prochaetoglobosin iv

  • Synonyms: prochaetoglobosin IV

Identifiers / External links

Structure

  • Smiles: CC1CC=CC2C3C(O3)(C(C4C2(C(=O)C=CCCC(=C1)C)C(=O)NC4CC5=CNC6=CC=CC=C65)C)C

  • Isomeric smiles: C[C@H]\1C/C=C/[C@H]2[C@H]3[C@](O3)([C@H]([C@@H]4[C@@]2(C(=O)/C=C/CC/C(=C1)/C)C(=O)N[C@H]4CC5=CNC6=CC=CC=C65)C)C

  • Inchi: InChI=1S/C32H38N2O3/c1-19-10-5-8-15-27(35)32-24(13-9-11-20(2)16-19)29-31(4,37-29)21(3)28(32)26(34-30(32)36)17-22-18-33-25-14-7-6-12-23(22)25/h6-9,12-16,18,20-21,24,26,28-29,33H,5,10-11,17H2,1-4H3,(H,34,36)/b13-9+,15-8+,19-16+/t20-,21-,24-,26-,28-,29-,31+,32+/m0/s1

  • Inchikey: WDTVRLZSWNFOOH-CTQYYNJESA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C32H38N2O3

  • Molecular weight: 498.70

  • Monoisotopic mass: 498.28824308

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