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Decumbenone a

  • Formula: C16H24O4

  • Molecular weight: 280.36

  • Smiles: CC1CC(C2C(=C1)C=CC(C2(C)C(=O)CCO)(C)O)O

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Decumbenone a

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

  • Mycotoxin name: Decumbenone a

  • First synonym: Decumbenone a

  • Synonyms: Decumbenone A,1-(2,8-Dihydroxy-1,2,6-trimethyl-1,2,6,7,8,8a-hexahydro-naphthalen-1-yl)-3-hydroxy-propan-1-one,1-(2,8-Dihydroxy-1,2,6-trimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)-3-hydroxy-1-propanone,1-propanone, 1-[(1R,2R,6S,8S,8aS)-1,2,6,7,8,8a-hexahydro-2,8-dihydroxy-1,2,6-trimethyl-1-naphthalenyl]-3-hydroxy-,rel-1-[(1R,2R,6S,8S,8aS)-2,8-dihydroxy-1,2,6-trimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3-hydroxypropan-1-one

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Structure

  • Smiles: CC1CC(C2C(=C1)C=CC(C2(C)C(=O)CCO)(C)O)O

  • Isomeric smiles: C[C@H]1C[C@@H]([C@H]2C(=C1)C=C[C@@]([C@]2(C)C(=O)CCO)(C)O)O

  • Inchi: InChI=1S/C16H24O4/c1-10-8-11-4-6-15(2,20)16(3,13(19)5-7-17)14(11)12(18)9-10/h4,6,8,10,12,14,17-18,20H,5,7,9H2,1-3H3/t10-,12+,14-,15-,16-/m1/s1

  • Inchikey: KPUOKNHMWKNLJE-LIDJKPORSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C16H24O4

  • Molecular weight: 280.36

  • Monoisotopic mass: 280.16745924

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