Logo Anses
Logo Interreg

8-pentanoylneosolaniol

  • Formula: C24H34O9

  • Molecular weight: 466.50

  • Smiles: CCCCC(=O)OC1CC2(C(C=C1C)OC3C(C(C2(C34CO4)C)OC(=O)C)O)COC(=O)C

Download

8-pentanoylneosolaniol

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

Names

  • Mycotoxin name: 8-pentanoylneosolaniol

  • First synonym: 8-pentanoylneosolaniol

  • Synonyms: 8-Pentanoylneosolaniol,116163-74-7,8-n-Pentanoylneosolaniol,DTXSID60921944,CHEBI:175666,4,15-Bis(acetyloxy)-3-hydroxy-12,13-epoxytrichothec-9-en-8-yl pentanoate,Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 4,15-diacetate 8-pentanoate, (3alpha,4beta,8alpha)-

Identifiers / External links

Structure

  • Smiles: CCCCC(=O)OC1CC2(C(C=C1C)OC3C(C(C2(C34CO4)C)OC(=O)C)O)COC(=O)C

  • Isomeric smiles: CCCCC(=O)O[C@H]1C[C@]2([C@@H](C=C1C)O[C@@H]3[C@@H]([C@H]([C@]2(C34CO4)C)OC(=O)C)O)COC(=O)C

  • Inchi: InChI=1S/C24H34O9/c1-6-7-8-18(27)32-16-10-23(11-29-14(3)25)17(9-13(16)2)33-21-19(28)20(31-15(4)26)22(23,5)24(21)12-30-24/h9,16-17,19-21,28H,6-8,10-12H2,1-5H3/t16-,17+,19+,20+,21+,22+,23+,24?/m0/s1

  • Inchikey: QXHICULSTMOREA-GOLADLMOSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C24H34O9

  • Molecular weight: 466.50

  • Monoisotopic mass: 466.22028266

Select an endpoint:

Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Category Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Category Sub category Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Endpoint Tool Value Unit Comments Reference

Fungi