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Bisabosqual D

  • Formula: C23H30O7

  • Molecular weight: 418.50

  • Smiles: CC1(CCC2C3C1OC4=C(C(=CC(=C34)OC2(C)CCC(C(C)(C)O)O)C=O)C=O)O

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Bisabosqual D

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

  • Mycotoxin name: Bisabosqual D

  • First synonym: None

  • Synonyms: Bisabosqual D,(7S,8R,11S,12R,13S)-7-[(3R)-3,4-dihydroxy-4-methylpentyl]-11-hydroxy-7,11-dimethyl-6,15-dioxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14)-triene-2,3-dicarbaldehyde,(7S,8R,11S,12R,13S)-7-((3R)-3,4-dihydroxy-4-methylpentyl)-11-hydroxy-7,11-dimethyl-6,15-dioxatetracyclo(10.2.1.05,14.08,13)pentadeca-1,3,5(14)-triene-2,3-dicarbaldehyde,CHEBI:201737

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Structure

  • Smiles: CC1(CCC2C3C1OC4=C(C(=CC(=C34)OC2(C)CCC(C(C)(C)O)O)C=O)C=O)O

  • Isomeric smiles: C[C@@]1(CC[C@@H]2[C@@H]3[C@H]1OC4=C(C(=CC(=C34)O[C@@]2(C)CC[C@H](C(C)(C)O)O)C=O)C=O)O

  • Inchi: InChI=1S/C23H30O7/c1-21(2,27)16(26)6-8-23(4)14-5-7-22(3,28)20-17(14)18-15(30-23)9-12(10-24)13(11-25)19(18)29-20/h9-11,14,16-17,20,26-28H,5-8H2,1-4H3/t14-,16-,17+,20-,22+,23+/m1/s1

  • Inchikey: DWPUMDIAHUOAEN-PLOOWVJUSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C23H30O7

  • Molecular weight: 418.50

  • Monoisotopic mass: 418.19915329

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