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Triacetylemodin

  • Formula: C21H16O8

  • Molecular weight: 396.30

  • Smiles: CC1=CC(=C2C(=C1C(=O)C)C(=O)C3=C(C2=O)C(=O)C(=C(C)O)C(=O)C3=C(C)O)O

  • Type: Anthraquinoid

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Triacetylemodin

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

  • Mycotoxin name: Triacetylemodin

  • First synonym: None

  • Synonyms: triacetylemodin

Identifiers / External links

Structure

  • Smiles: CC1=CC(=C2C(=C1C(=O)C)C(=O)C3=C(C2=O)C(=O)C(=C(C)O)C(=O)C3=C(C)O)O

  • Isomeric smiles: CC1=CC(=C2C(=C1C(=O)C)C(=O)C\3=C(C2=O)C(=O)/C(=C(\C)/O)/C(=O)/C3=C(\C)/O)O

  • Inchi: InChI=1S/C21H16O8/c1-6-5-10(25)14-15(11(6)7(2)22)21(29)16-12(8(3)23)18(26)13(9(4)24)19(27)17(16)20(14)28/h5,23-25H,1-4H3/b12-8+,13-9+

  • Inchikey: OGBPPPQOUGZVSZ-QHKWOANTSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C21H16O8

  • Molecular weight: 396.30

  • Monoisotopic mass: 396.08451746

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