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Bisabosqual C

  • Formula: C23H28O6

  • Molecular weight: 400.50

  • Smiles: CC(=CCCC1(C2CCC(C3C2(C4=C(O1)C=C(C(=C4O3)C=O)C=O)O)(C)O)C)C

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Bisabosqual C

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

  • Mycotoxin name: Bisabosqual C

  • First synonym: None

  • Synonyms: Bisabosqual C,(7S,8R,11S,12S,13R)-11,13-dihydroxy-7,11-dimethyl-7-(4-methylpent-3-enyl)-6,15-dioxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14)-triene-2,3-dicarbaldehyde,(7S,8R,11S,12S,13R)-11,13-dihydroxy-7,11-dimethyl-7-(4-methylpent-3-enyl)-6,15-dioxatetracyclo(10.2.1.05,14.08,13)pentadeca-1,3,5(14)-triene-2,3-dicarbaldehyde,CHEBI:222316

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Structure

  • Smiles: CC(=CCCC1(C2CCC(C3C2(C4=C(O1)C=C(C(=C4O3)C=O)C=O)O)(C)O)C)C

  • Isomeric smiles: CC(=CCC[C@]1([C@@H]2CC[C@]([C@H]3[C@@]2(C4=C(O1)C=C(C(=C4O3)C=O)C=O)O)(C)O)C)C

  • Inchi: InChI=1S/C23H28O6/c1-13(2)6-5-8-22(4)17-7-9-21(3,26)20-23(17,27)18-16(29-22)10-14(11-24)15(12-25)19(18)28-20/h6,10-12,17,20,26-27H,5,7-9H2,1-4H3/t17-,20-,21-,22-,23+/m0/s1

  • Inchikey: FGBBGDWEXFKAKY-DIMAQAOGSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C23H28O6

  • Molecular weight: 400.50

  • Monoisotopic mass: 400.18858861

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