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Es-242-4

  • Formula: C32H34O10

  • Molecular weight: 578.60

  • 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)O)O

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Es-242-4

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

Names

  • Mycotoxin name: Es-242-4

  • First synonym: Es-242-4

  • Synonyms: ES-242-4,(aS)-3,3'-Dimethyl-7,7',9,9'-tetramethoxy-3,3',4,4'-tetrahydro-5,5'-bi[1H-naphtho[2,3-c]pyran]-4,4',10,10'-tetraol

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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)O)O

  • 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)O)O

  • Inchi: InChI=1S/C32H34O10/c1-13-29(33)27-19(11-41-13)31(35)23-17(7-15(37-3)9-21(23)39-5)25(27)26-18-8-16(38-4)10-22(40-6)24(18)32(36)20-12-42-14(2)30(34)28(20)26/h7-10,13-14,29-30,33-36H,11-12H2,1-6H3

  • Inchikey: AVAQRWVGWWNBIN-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C32H34O10

  • Molecular weight: 578.60

  • Monoisotopic mass: 578.21519728

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