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Nivalenol 4,15-diacetate

  • Formula: C19H24O9

  • Molecular weight: 396.40

  • Smiles: CC1=CC2C(C(C1=O)O)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)COC(=O)C

  • Type: Trichothecene

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Nivalenol 4,15-diacetate

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

Names

  • Mycotoxin name: Nivalenol 4,15-diacetate

  • First synonym: 4,15-diacetylnivalenol

  • Synonyms: 4,15-Diacetylnivalenol,Diacetylnivalenol,Saubinin I,Nivalenol diacetate,Diazetylnivalenol,Diazetylnivalenol [German],Nivalenol 4,15-diacetate,14287-82-2,[(2R,3S,7R,9R,10R,11S)-11-acetyloxy-3,10-dihydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate,NSC 267034,4,15-Bis(acetyloxy)-12,13-epoxy-3,7-dihydroxytrichothec-9-en-8-one (3alpha,4beta,7alpha)-,Trichothec-9-en-8-one, 12,13-epoxy-3-alpha,4-beta,7-alpha,15-tetrahydroxy-, 4,15-diacetate,Trichothec-9-en-8-one, 4,15-bis(acetyloxy)-12,13-epoxy-3,7-dihydroxy-, (3alpha,4beta,7alpha)-

Identifiers / External links

  • CAS: 14287-82-2

  • PubChem CID: 107714

  • ChemSpiderID: 96883

Structure

  • Smiles: CC1=CC2C(C(C1=O)O)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)COC(=O)C

  • Isomeric smiles: CC1=C[C@@H]2[C@]([C@@H](C1=O)O)(C3([C@@H]([C@H]([C@H](C34CO4)O2)O)OC(=O)C)C)COC(=O)C

  • Inchi: InChI=1S/C19H24O9/c1-8-5-11-18(6-25-9(2)20,14(24)12(8)22)17(4)15(27-10(3)21)13(23)16(28-11)19(17)7-26-19/h5,11,13-16,23-24H,6-7H2,1-4H3/t11-,13-,14-,15-,16-,17?,18-,19?/m1/s1

  • Inchikey: PIHGROVBUUNPDW-SUWHGTQISA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C19H24O9

  • Molecular weight: 396.40

  • Monoisotopic mass: 396.14203234

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