Synerazol

  • Formula: C22H23NO7

  • Molecular weight: 413.40

  • Smiles: CCC=CC1C(O1)C2=C(C(=O)C3(O2)C(C(NC3=O)(C(=O)C4=CC=CC=C4)OC)O)C

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Synerazol

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

  • Mycotoxin name: Synerazol

  • First synonym: Synerazol

  • Synonyms: Synerazol, 127941-81-5, 1-Oxa-7-azaspiro(4.4)non-2-ene-4,6-dione, 8-benzoyl-2-(3-(1-butenyl)oxiranyl)-9-hydroxy-8-methoxy-3-methyl-, 8-benzoyl-2-[3-[(E)-but-1-enyl]oxiran-2-yl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione

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Structure

  • Smiles: CCC=CC1C(O1)C2=C(C(=O)C3(O2)C(C(NC3=O)(C(=O)C4=CC=CC=C4)OC)O)C

  • Isomeric smiles: CC/C=C/C1C(O1)C2=C(C(=O)C3(O2)C(C(NC3=O)(C(=O)C4=CC=CC=C4)OC)O)C

  • Inchi: InChI=1S/C22H23NO7/c1-4-5-11-14-16(29-14)15-12(2)17(24)21(30-15)19(26)22(28-3,23-20(21)27)18(25)13-9-7-6-8-10-13/h5-11,14,16,19,26H,4H2,1-3H3,(H,23,27)/b11-5+

  • Inchikey: UCUHTBUWKCQZNJ-VZUCSPMQSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C22H23NO7

  • Molecular weight: 413.40

  • Monoisotopic mass: 413.14745207

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