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Variecoacetal b

  • Formula: C28H44O3

  • Molecular weight: 428.60

  • Smiles: CCOC12CC(C3C1C(=CCC4C5C(CCC5(CCC4(C3)C)C)C(=C)C)C(O2)OC)C

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Variecoacetal b

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

Names

  • Mycotoxin name: Variecoacetal b

  • First synonym: Variecoacetal b

  • Synonyms: Variecoacetal B,312624-81-0

Identifiers / External links

Structure

  • Smiles: CCOC12CC(C3C1C(=CCC4C5C(CCC5(CCC4(C3)C)C)C(=C)C)C(O2)OC)C

  • Isomeric smiles: CCO[C@@]12C[C@@H]([C@H]3[C@@H]1/C(=C\C[C@H]4[C@@H]5[C@H](CC[C@]5(CC[C@@]4(C3)C)C)C(=C)C)/[C@H](O2)OC)C

  • Inchi: InChI=1S/C28H44O3/c1-8-30-28-15-18(4)21-16-27(6)14-13-26(5)12-11-19(17(2)3)24(26)22(27)10-9-20(23(21)28)25(29-7)31-28/h9,18-19,21-25H,2,8,10-16H2,1,3-7H3/b20-9+/t18-,19+,21-,22-,23-,24-,25-,26-,27+,28+/m0/s1

  • Inchikey: HWMGYRPZZSXFAX-SLIHOXETSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C28H44O3

  • Molecular weight: 428.60

  • Monoisotopic mass: 428.32904526

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Fungi

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