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Chaetoglobosin 510

  • Formula: C34H42N2O2

  • Molecular weight: 510.70

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

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Chaetoglobosin 510

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

Names

  • Mycotoxin name: Chaetoglobosin 510

  • First synonym: Chaetoglobosin 510

  • Synonyms: Chaetoglobosin 510,871982-61-5

Identifiers / External links

Structure

  • Smiles: CCC1C2C(NC(=O)C23C(C=CCC(C=C(CCC=CC3=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(/CC/C=C/C3=O)\C)C)C=C1C)[C@H](C)C4=CNC5=CC=CC=C54

  • Inchi: InChI=1S/C34H42N2O2/c1-6-26-23(4)19-25-14-11-13-22(3)18-21(2)12-7-10-17-30(37)34(25)31(26)32(36-33(34)38)24(5)28-20-35-29-16-9-8-15-27(28)29/h8-11,14-20,22,24-26,31-32,35H,6-7,12-13H2,1-5H3,(H,36,38)/b14-11+,17-10+,21-18+/t22-,24+,25-,26+,31-,32-,34-/m0/s1

  • Inchikey: MMDCZRJSKCICND-GSPHJXADSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C34H42N2O2

  • Molecular weight: 510.70

  • Monoisotopic mass: 510.324628587

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