Logo Anses
Logo Interreg

Cerevisterol

  • Formula: C28H46O3

  • Molecular weight: 430.70

  • Smiles: CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC(C4(C3(CCC(C4)O)C)O)O)C

Download

Cerevisterol

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

Names

  • Mycotoxin name: Cerevisterol

  • First synonym: Cerevisterol

  • Synonyms: Cerevisterol,Cerevisterin,516-37-0,CHEBI:68083,(3S,5R,6R,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,5,6-triol,Ergosta-7,22-diene-3beta,5alpha,6beta-triol,CHEMBL491546,SCHEMBL3277925,MFCD08274564,ZINC43620416,W2330,Ergosta-7,22E-diene-3beta,5alpha,6beta-triol,(22E)-ergosta-7,22-diene-3beta,5alpha,6beta-triol,Q15410887,Ergosta-7,22-diene-3,5,6-triol, (3beta,5alpha,6beta,22E)-

Identifiers / External links

Structure

  • Smiles: CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC(C4(C3(CCC(C4)O)C)O)O)C

  • Isomeric smiles: C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)O)C)O)O)C

  • Inchi: InChI=1S/C28H46O3/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-15-25(30)28(31)16-20(29)11-14-27(28,6)24(21)12-13-26(22,23)5/h7-8,15,17-20,22-25,29-31H,9-14,16H2,1-6H3/b8-7+/t18-,19+,20-,22+,23-,24-,25+,26+,27+,28-/m0/s1

  • Inchikey: ARXHRTZAVQOQEU-BRVLHLJYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C28H46O3

  • Molecular weight: 430.70

  • Monoisotopic mass: 430.34469533

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