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Chaetoglobosin 540

  • Formula: C34H40N2O4

  • Molecular weight: 540.70

  • Smiles: CCC1C2C(NC(=O)C23C(C=CCC(C=C(C(C(=O)C=CC3=O)O)C)C)C=C1C)C(C)C4=CNC5=CC=CC=C54

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Chaetoglobosin 540

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

Names

  • Mycotoxin name: Chaetoglobosin 540

  • First synonym: Chaetoglobosin 540

  • Synonyms: Chaetoglobosin 540,871982-62-6

Identifiers / External links

Structure

  • Smiles: CCC1C2C(NC(=O)C23C(C=CCC(C=C(C(C(=O)C=CC3=O)O)C)C)C=C1C)C(C)C4=CNC5=CC=CC=C54

  • Isomeric smiles: CC[C@H]1[C@H]2[C@@H](NC(=O)[C@]23[C@@H](/C=C/C[C@@H](/C=C(/[C@H](C(=O)/C=C/C3=O)O)\C)C)C=C1C)[C@H](C)C4=CNC5=CC=CC=C54

  • Inchi: InChI=1S/C34H40N2O4/c1-6-24-20(3)17-23-11-9-10-19(2)16-21(4)32(39)28(37)14-15-29(38)34(23)30(24)31(36-33(34)40)22(5)26-18-35-27-13-8-7-12-25(26)27/h7-9,11-19,22-24,30-32,35,39H,6,10H2,1-5H3,(H,36,40)/b11-9+,15-14+,21-16+/t19-,22+,23-,24+,30-,31-,32+,34-/m0/s1

  • Inchikey: LSIWIWGGYFLGNV-SVKMLKSESA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C34H40N2O4

  • Molecular weight: 540.70

  • Monoisotopic mass: 540.29880776

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