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Rotiorinol b

  • Formula: C23H28O6

  • Molecular weight: 400.50

  • Smiles: CCC(C)(C=C(C)C=CC1=CC2=CC3C(C(=O)OC3(C(C2=CO1)O)C)C(=O)C)O

  • Type: Azaphilone

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Rotiorinol b

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

  • Mycotoxin name: Rotiorinol b

  • First synonym: Rotiorinol b

  • Synonyms: Rotiorinol B,CHEBI:68698,Q27137119,(9R,9aR)-3-acetyl-9-hydroxy-6-[(1E,3E)-5-hydroxy-3,5-dimethylhepta-1,3-dien-1-yl]-9a-methyl-9,9a-dihydro-2H-furo[3,2-g]isochromen-2-one,6-acetyl-3-(5-hydroxy-3,5-dimethyl-1E,3E-heptadienyl)-9R-hydroxy-8a(R)-methyl-7H-furo[2,3-g]-2-benzopyran-7-one

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Structure

  • Smiles: CCC(C)(C=C(C)C=CC1=CC2=CC3C(C(=O)OC3(C(C2=CO1)O)C)C(=O)C)O

  • Isomeric smiles: CCC(C)(/C=C(\C)/C=C/C1=CC2=CC3C(C(=O)O[C@]3([C@@H](C2=CO1)O)C)C(=O)C)O

  • Inchi: InChI=1S/C23H28O6/c1-6-22(4,27)11-13(2)7-8-16-9-15-10-18-19(14(3)24)21(26)29-23(18,5)20(25)17(15)12-28-16/h7-12,18-20,25,27H,6H2,1-5H3/b8-7+,13-11+/t18?,19?,20-,22?,23-/m1/s1

  • Inchikey: YRXFYJLGTKETDE-UZOHKBMQSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C23H28O6

  • Molecular weight: 400.50

  • Monoisotopic mass: 400.18858861

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