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Sch 528647

  • Formula: C26H34O6

  • Molecular weight: 442.50

  • Smiles: CC(=CCC1C(O1)(C)C2C(C(CCC2=C)OC(=O)C=CC=CC=CC=CC(=O)O)OC)C

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Sch 528647

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

  • Mycotoxin name: Sch 528647

  • First synonym: Sch 528647

  • Synonyms: Sch 528647

Identifiers / External links

Structure

  • Smiles: CC(=CCC1C(O1)(C)C2C(C(CCC2=C)OC(=O)C=CC=CC=CC=CC(=O)O)OC)C

  • Isomeric smiles: CC(=CC[C@@H]1[C@@](O1)(C)[C@@H]2[C@@H]([C@@H](CCC2=C)OC(=O)/C=C/C=C/C=C/C=C/C(=O)O)OC)C

  • Inchi: InChI=1S/C26H34O6/c1-18(2)14-17-21-26(4,32-21)24-19(3)15-16-20(25(24)30-5)31-23(29)13-11-9-7-6-8-10-12-22(27)28/h6-14,20-21,24-25H,3,15-17H2,1-2,4-5H3,(H,27,28)/b8-6+,9-7+,12-10+,13-11+/t20-,21-,24+,25-,26+/m1/s1

  • Inchikey: OZEROECWNOAONO-JOOYSTLBSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C26H34O6

  • Molecular weight: 442.50

  • Monoisotopic mass: 442.2355388

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