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3'-n-acetyl-4'-o-(9-octadecenoyl)fusarochromanone

  • Formula: C35H54N2O6

  • Molecular weight: 598.80

  • Smiles: CCCCCCCCC=CCCCCCCCC(=O)OCC(CC(=O)C1=C(C2=C(C=C1)OC(CC2=O)(C)C)N)NC(=O)C

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3'-n-acetyl-4'-o-(9-octadecenoyl)fusarochromanone

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

  • Mycotoxin name: 3'-n-acetyl-4'-o-(9-octadecenoyl)fusarochromanone

  • First synonym: 3'-n-acetyl-4'-o-(9-octadecenoyl)fusarochromanone

  • Synonyms: 3'-N-Acetyl-4'-O-(9-octadecenoyl)fusarochromanone,CHEBI:172767,[2-acetamido-4-(5-amino-2,2-dimethyl-4-oxo-3H-chromen-6-yl)-4-oxobutyl] (E)-octadec-9-enoate

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Structure

  • Smiles: CCCCCCCCC=CCCCCCCCC(=O)OCC(CC(=O)C1=C(C2=C(C=C1)OC(CC2=O)(C)C)N)NC(=O)C

  • Isomeric smiles: CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CC(=O)C1=C(C2=C(C=C1)OC(CC2=O)(C)C)N)NC(=O)C

  • Inchi: InChI=1S/C35H54N2O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-32(41)42-25-27(37-26(2)38)23-29(39)28-21-22-31-33(34(28)36)30(40)24-35(3,4)43-31/h12-13,21-22,27H,5-11,14-20,23-25,36H2,1-4H3,(H,37,38)/b13-12+

  • Inchikey: WJXUBXRBIJRVSJ-OUKQBFOZSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C35H54N2O6

  • Molecular weight: 598.80

  • Monoisotopic mass: 598.39818745

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