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Deacetylchloronectrin

  • Formula: C23H31ClO5

  • Molecular weight: 422.90

  • Smiles: CC1CCC(=O)C(C1(C)CC(C(=CCC2=C(C(=C(C(=C2O)Cl)C)C=O)O)C)O)C

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Deacetylchloronectrin

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

Names

  • Mycotoxin name: Deacetylchloronectrin

  • First synonym: Deacetylchloronectrin

  • Synonyms: Deacetylchloronectrin,BS-1072,MCULE-2162953102,NCGC00347584-02!5-chloro-2,4-dihydroxy-3-[(E)-4-hydroxy-3-methyl-5-(1,2,6-trimethyl-3-oxocyclohexyl)pent-2-enyl]-6-methylbenzaldehyde

Identifiers / External links

Structure

  • Smiles: CC1CCC(=O)C(C1(C)CC(C(=CCC2=C(C(=C(C(=C2O)Cl)C)C=O)O)C)O)C

  • Isomeric smiles: CC1CCC(=O)C(C1(C)CC(/C(=C/CC2=C(C(=C(C(=C2O)Cl)C)C=O)O)/C)O)C

  • Inchi: InChI=1S/C23H31ClO5/c1-12(19(27)10-23(5)13(2)7-9-18(26)15(23)4)6-8-16-21(28)17(11-25)14(3)20(24)22(16)29/h6,11,13,15,19,27-29H,7-10H2,1-5H3/b12-6+

  • Inchikey: XFTFIFNAWKMLKL-WUXMJOGZSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C23H31ClO5

  • Molecular weight: 422.90

  • Monoisotopic mass: 422.1860018

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