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Es-242-2

  • Formula: C36H38O12

  • Molecular weight: 662.70

  • Smiles: CC1C(C2=C(C3=C(C(=CC(=C3)OC)OC)C(=C2CO1)O)C4=C5C(C(OCC5=C(C6=C4C=C(C=C6OC)OC)O)C)OC(=O)C)OC(=O)C

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Es-242-2

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

  • Mycotoxin name: Es-242-2

  • First synonym: Es-242-2

  • Synonyms: ES-242-2,(aR)-4,4'-Diacetoxy-3,3'-dimethyl-7,7',9,9'-tetramethoxy-3,3',4,4'-tetrahydro-5,5'-bi[1H-naphtho[2,3-c]pyran]-10,10'-diol

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Structure

  • Smiles: CC1C(C2=C(C3=C(C(=CC(=C3)OC)OC)C(=C2CO1)O)C4=C5C(C(OCC5=C(C6=C4C=C(C=C6OC)OC)O)C)OC(=O)C)OC(=O)C

  • Isomeric smiles: CC1C(C2=C(C3=C(C(=CC(=C3)OC)OC)C(=C2CO1)O)C4=C5C(C(OCC5=C(C6=C4C=C(C=C6OC)OC)O)C)OC(=O)C)OC(=O)C

  • Inchi: InChI=1S/C36H38O12/c1-15-35(47-17(3)37)31-23(13-45-15)33(39)27-21(9-19(41-5)11-25(27)43-7)29(31)30-22-10-20(42-6)12-26(44-8)28(22)34(40)24-14-46-16(2)36(32(24)30)48-18(4)38/h9-12,15-16,35-36,39-40H,13-14H2,1-8H3

  • Inchikey: PEDZYCDSAWVMRN-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C36H38O12

  • Molecular weight: 662.70

  • Monoisotopic mass: 662.23632664

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