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Sequoiatone a

  • Formula: C23H30O6

  • Molecular weight: 402.50

  • Smiles: CCCCCCC(C)C(=O)C1=C2C(=C3C=C(OCC3C2(OC1=O)C)C)C(=O)OC

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Sequoiatone a

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

Names

  • Mycotoxin name: Sequoiatone a

  • First synonym: Sequoiatone a

  • Synonyms: Sequoiatone A

Identifiers / External links

  • CAS: 243868-65-7

  • PubChem CID: 9978464

  • Chemical Entities of Biological Interest (CHEBI): CHEBI:217039

Structure

  • Smiles: CCCCCCC(C)C(=O)C1=C2C(=C3C=C(OCC3C2(OC1=O)C)C)C(=O)OC

  • Isomeric smiles: CCCCCC[C@H](C)C(=O)C1=C2C(=C3C=C(OC[C@H]3[C@@]2(OC1=O)C)C)C(=O)OC

  • Inchi: InChI=1S/C23H30O6/c1-6-7-8-9-10-13(2)20(24)18-19-17(21(25)27-5)15-11-14(3)28-12-16(15)23(19,4)29-22(18)26/h11,13,16H,6-10,12H2,1-5H3/t13-,16+,23-/m0/s1

  • Inchikey: UMDDQZKJZQPILY-LZDDTZTRSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C23H30O6

  • Molecular weight: 402.50

  • Monoisotopic mass: 402.20423867

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