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Trichoverritone

  • Formula: C35H46O11

  • Molecular weight: 642.70

  • Smiles: CC1=CC2C(CC1)(C3(C(CC(C34CO4)O2)OC(=O)C=CC=CC(C(C)O)OCCC5=CC(=O)OC5)C)COC(=O)C=C(C)CCO

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Trichoverritone

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

Names

  • Mycotoxin name: Trichoverritone

  • First synonym: Trichoverritone

  • Synonyms: trichoverritone,UNII-94H6HXM1FG,94H6HXM1FG,87292-19-1,Q27271684,Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 4-((2Z,4E)-6-(2-(2,5-dihydro-5-oxo-3-furanyl)ethoxy)-7-hydroxy-2,4-octadienoate) 15-((2E)-5-hydroxy-3-methyl-2-pentenoate), (4beta)-,Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 4-(6-(2-(2,5-dihydro-5-oxo-3-furanyl)ethoxy)-7-hydroxy-2,4-octadienoate) 15-(5-hydroxy-3-methyl-2-pentenoate), (4beta(2Z,4E),15(E))-

Identifiers / External links

Structure

  • Smiles: CC1=CC2C(CC1)(C3(C(CC(C34CO4)O2)OC(=O)C=CC=CC(C(C)O)OCCC5=CC(=O)OC5)C)COC(=O)C=C(C)CCO

  • Isomeric smiles: CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H](C[C@H]([C@@]34CO4)O2)OC(=O)/C=C\C=C\C(C(C)O)OCCC5=CC(=O)OC5)C)COC(=O)/C=C(\C)/CCO

  • Inchi: InChI=1S/C35H46O11/c1-22-9-12-34(20-43-31(39)16-23(2)10-13-36)28(15-22)45-29-18-27(33(34,4)35(29)21-44-35)46-30(38)8-6-5-7-26(24(3)37)41-14-11-25-17-32(40)42-19-25/h5-8,15-17,24,26-29,36-37H,9-14,18-21H2,1-4H3/b7-5+,8-6-,23-16+/t24?,26?,27-,28-,29-,33-,34-,35+/m1/s1

  • Inchikey: SBZMQFWYHDOLHG-MZKSFLEOSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C35H46O11

  • Molecular weight: 642.70

  • Monoisotopic mass: 642.30401228

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