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4,6'-anhydrooxysporidinone

  • Formula: C28H41NO5

  • Molecular weight: 471.60

  • Smiles: CCC(C)CC(C)C=C(C)C1C(CCC(O1)C2=C3C(=CN(C2=O)C)C4(CCC(=O)CC4O3)O)C

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4,6'-anhydrooxysporidinone

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

Names

  • Mycotoxin name: 4,6'-anhydrooxysporidinone

  • First synonym: (-)-4,6'-anhydrooxysporidinone

  • Synonyms: (-)-4,6'-anhydrooxysporidinone

Identifiers / External links

Structure

  • Smiles: CCC(C)CC(C)C=C(C)C1C(CCC(O1)C2=C3C(=CN(C2=O)C)C4(CCC(=O)CC4O3)O)C

  • Isomeric smiles: CCC(C)CC(C)/C=C(\C)/C1C(CCC(O1)C2=C3C(=CN(C2=O)C)C4(CCC(=O)CC4O3)O)C

  • Inchi: InChI=1S/C28H41NO5/c1-7-16(2)12-17(3)13-19(5)25-18(4)8-9-22(33-25)24-26-21(15-29(6)27(24)31)28(32)11-10-20(30)14-23(28)34-26/h13,15-18,22-23,25,32H,7-12,14H2,1-6H3/b19-13+

  • Inchikey: HIEAPHJQEBHMLL-CPNJWEJPSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C28H41NO5

  • Molecular weight: 471.60

  • Monoisotopic mass: 471.29847341

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