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Secopenicillide a

  • Formula: C24H30O8

  • Molecular weight: 446.50

  • Smiles: CC1=CC(=C(C(=C1)O)OC2=C(C(=C(C=C2)C(CC(C)C)OC(=O)C)OC)C(=O)OC)CO

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Secopenicillide a

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

Names

  • Mycotoxin name: Secopenicillide a

  • First synonym: Secopenicilide a

  • Synonyms: Secopenicilide A,Secopenicillide A

Identifiers / External links

Structure

  • Smiles: CC1=CC(=C(C(=C1)O)OC2=C(C(=C(C=C2)C(CC(C)C)OC(=O)C)OC)C(=O)OC)CO

  • Isomeric smiles: CC1=CC(=C(C(=C1)O)OC2=C(C(=C(C=C2)[C@H](CC(C)C)OC(=O)C)OC)C(=O)OC)CO

  • Inchi: InChI=1S/C24H30O8/c1-13(2)9-20(31-15(4)26)17-7-8-19(21(23(17)29-5)24(28)30-6)32-22-16(12-25)10-14(3)11-18(22)27/h7-8,10-11,13,20,25,27H,9,12H2,1-6H3/t20-/m0/s1

  • Inchikey: NJXVRZXVQCMDTL-FQEVSTJZSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C24H30O8

  • Molecular weight: 446.50

  • Monoisotopic mass: 446.19406791

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