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Decumbenone b

  • Formula: C16H26O4

  • Molecular weight: 282.37

  • Smiles: CC1CC2C=CC(C(C2C(C1)O)(C)C(=O)CCO)(C)O

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Decumbenone b

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

  • Mycotoxin name: Decumbenone b

  • First synonym: Decumbenone b

  • Synonyms: Decumbenone B

Identifiers / External links

Structure

  • Smiles: CC1CC2C=CC(C(C2C(C1)O)(C)C(=O)CCO)(C)O

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

  • Inchi: InChI=1S/C16H26O4/c1-10-8-11-4-6-15(2,20)16(3,13(19)5-7-17)14(11)12(18)9-10/h4,6,10-12,14,17-18,20H,5,7-9H2,1-3H3/t10-,11+,12+,14-,15-,16-/m0/s1

  • Inchikey: VAJNXMAFOMJOFB-JKXTYNSWSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C16H26O4

  • Molecular weight: 282.37

  • Monoisotopic mass: 282.18310931

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