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(3alpha,4beta)-4,15-bis(acetyloxy)-12,13-epoxy-3-hydroxytrichothec-9-en-8-one

  • Formula: C19H24O8

  • Molecular weight: 380.40

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

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(3alpha,4beta)-4,15-bis(acetyloxy)-12,13-epoxy-3-hydroxytrichothec-9-en-8-one

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

Names

  • Mycotoxin name: (3alpha,4beta)-4,15-bis(acetyloxy)-12,13-epoxy-3-hydroxytrichothec-9-en-8-one

  • First synonym: 4,15-diacetyl-7-deoxynivalenol

  • Synonyms: 4,15-Diacetyl-7-deoxynivalenol,(3alpha,4beta)-4,15-bis(Acetyloxy)-12,13-epoxy-3-hydroxytrichothec-9-en-8-one

Identifiers / External links

Structure

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

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

  • Inchi: InChI=1S/C19H24O8/c1-9-5-13-18(6-12(9)22,7-24-10(2)20)17(4)15(26-11(3)21)14(23)16(27-13)19(17)8-25-19/h5,13-16,23H,6-8H2,1-4H3/t13-,14-,15-,16-,17?,18-,19?/m1/s1

  • Inchikey: FAQMCKSIBZGZIB-WGTJCWDGSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C19H24O8

  • Molecular weight: 380.40

  • Monoisotopic mass: 380.14711772

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