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Rotiorinol c

  • Formula: C23H26O6

  • Molecular weight: 398.40

  • Smiles: CC(CCO)C=C(C)C=CC1=CC2=CC3=C(C(=O)OC3(C(C2=CO1)O)C)C(=O)C

  • Type: Azaphilone

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Rotiorinol c

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

Names

  • Mycotoxin name: Rotiorinol c

  • First synonym: Rotiorinol c

  • Synonyms: ROTIORINOL C,CHEBI:68786,CHEMBL497093,Q27137177,(9R,9aR)-3-acetyl-9-hydroxy-6-[(1E,3E,5S)-7-hydroxy-3,5-dimethyl-hepta-1,3-dienyl]-9a-methyl-9H-furo[3,2-g]isochromen-2-one,(9R,9aR)-3-acetyl-9-hydroxy-6-[(1E,3E,5S)-7-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-(3,5-dimethyl-1E,3E-heptadien-7-ol)-9R-hydroxy-8a(R)-methyl-7H-furo[2,3-g]-2-benzopyran-7-one

Identifiers / External links

Structure

  • Smiles: CC(CCO)C=C(C)C=CC1=CC2=CC3=C(C(=O)OC3(C(C2=CO1)O)C)C(=O)C

  • Isomeric smiles: C[C@@H](CCO)/C=C(\C)/C=C/C1=CC2=CC3=C(C(=O)O[C@]3([C@@H](C2=CO1)O)C)C(=O)C

  • Inchi: InChI=1S/C23H26O6/c1-13(9-14(2)7-8-24)5-6-17-10-16-11-19-20(15(3)25)22(27)29-23(19,4)21(26)18(16)12-28-17/h5-6,9-12,14,21,24,26H,7-8H2,1-4H3/b6-5+,13-9+/t14-,21+,23+/m0/s1

  • Inchikey: KRCVYHUEUHHWKT-XOEIKTSYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C23H26O6

  • Molecular weight: 398.40

  • Monoisotopic mass: 398.17293854

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