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Strobilol i

  • Formula: C25H40O6

  • Molecular weight: 436.60

  • Smiles: CCCCCCCCCC(=O)OC1C2C(CC3C1(O3)C)C(CC4(C2(C(=C)CO4)O)O)C

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Strobilol i

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

  • Mycotoxin name: Strobilol i

  • First synonym: Strobilol i

  • Synonyms: Strobilol I

Identifiers / External links

Structure

  • Smiles: CCCCCCCCCC(=O)OC1C2C(CC3C1(O3)C)C(CC4(C2(C(=C)CO4)O)O)C

  • Isomeric smiles: CCCCCCCCCC(=O)O[C@@H]1[C@@H]2[C@@H](C[C@H]3[C@@]1(O3)C)[C@@H](C[C@]4([C@@]2(C(=C)CO4)O)O)C

  • Inchi: InChI=1S/C25H40O6/c1-5-6-7-8-9-10-11-12-20(26)30-22-21-18(13-19-23(22,4)31-19)16(2)14-24(27)25(21,28)17(3)15-29-24/h16,18-19,21-22,27-28H,3,5-15H2,1-2,4H3/t16-,18+,19+,21+,22-,23+,24+,25+/m1/s1

  • Inchikey: AZCCBOGMNKOZLP-MTMBJODSSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C25H40O6

  • Molecular weight: 436.60

  • Monoisotopic mass: 436.28248899

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