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Bisabosqual A

  • Formula: C23H28O5

  • Molecular weight: 384.50

  • Smiles: CC(=CCCC1(C2CCC(C3C2C4=C(O1)C=C(C(=C4O3)C=O)C=O)(C)O)C)C

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Bisabosqual A

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

  • Mycotoxin name: Bisabosqual A

  • First synonym: None

  • Synonyms: Bisabosqual A,(7S,8R,11S,12R,13S)-11-Hydroxy-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,12R,13S)-11-hydroxy-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:200417,HY-163178,CS-0955485

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Structure

  • Smiles: CC(=CCCC1(C2CCC(C3C2C4=C(O1)C=C(C(=C4O3)C=O)C=O)(C)O)C)C

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

  • Inchi: InChI=1S/C23H28O5/c1-13(2)6-5-8-23(4)16-7-9-22(3,26)21-18(16)19-17(28-23)10-14(11-24)15(12-25)20(19)27-21/h6,10-12,16,18,21,26H,5,7-9H2,1-4H3/t16-,18+,21-,22+,23+/m1/s1

  • Inchikey: JBVANMOFCVQYLP-MQRVUQIVSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C23H28O5

  • Molecular weight: 384.50

  • Monoisotopic mass: 384.19367399

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