Logo Anses
Logo Interreg

Stachybotrydial

  • Formula: C23H30O5

  • Molecular weight: 386.50

  • Smiles: CC1CCC2C(C(CCC2(C13CC4=C(C=C(C(=C4O3)C=O)C=O)O)C)O)(C)C

  • Type: Benzofuran

Download

Stachybotrydial

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

Names

  • Mycotoxin name: Stachybotrydial

  • First synonym: None

  • Synonyms: Stachybotrydial,Mer-NF5003F,(1'R,2'R,4'aS,6'R,8'aS)-3',4',4'a,5',6',7',8',8'a-octahydro-4,6'-dihydroxy-2',5',5',8'a-tetramethyl-spiro[benzofuran-2(3H),1'(2'H)-naphthalene]-6,7-dicarboxaldehyde,(3R,4aS,7R,8R,8aS)-3,4'-dihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzofuran]-6',7'-dicarbaldehyde,CHEMBL1170899,HY-137985,CS-0143499

Identifiers / External links

Structure

  • Smiles: CC1CCC2C(C(CCC2(C13CC4=C(C=C(C(=C4O3)C=O)C=O)O)C)O)(C)C

  • Isomeric smiles: C[C@@H]1CC[C@@H]2[C@@]([C@@]13CC4=C(C=C(C(=C4O3)C=O)C=O)O)(CC[C@H](C2(C)C)O)C

  • Inchi: InChI=1S/C23H30O5/c1-13-5-6-18-21(2,3)19(27)7-8-22(18,4)23(13)10-15-17(26)9-14(11-24)16(12-25)20(15)28-23/h9,11-13,18-19,26-27H,5-8,10H2,1-4H3/t13-,18+,19-,22+,23-/m1/s1

  • Inchikey: WIGGVNIABVHHCS-QJAXDWLUSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C23H30O5

  • Molecular weight: 386.50

  • Monoisotopic mass: 386.20932405

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