Logo Anses
Logo Interreg

Ll-s491gamma

  • Formula: C20H28O5

  • Molecular weight: 348.40

  • Smiles: CC1(CCCC23C1C(C(C4=CC(CCC42O)(C)C=C)O)(OC3=O)O)C

Download

Ll-s491gamma

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

Names

  • Mycotoxin name: Ll-s491gamma

  • First synonym: Sphaeropsidin b

  • Synonyms: SPHAEROPSIDIN B,UNII-7TAV6V0JZO,7TAV6V0JZO,CHEBI:69101,Pinowiltin,LL-S491gamma,Sphaeropsidin B, (-)-,Antibiotic LL-S491gamma,CHEMBL1934131,Q27137442,(4aR,4bR,7S,9R,10S,10aS)-7-Ethenyl-1,3,4,4b,5,6,7,9,10,10a-decahydro-4b,9,10-trihydroxy-1,1,7-trimethyl-2H-10,4a-(epoxymethano)phenanthren-12-one,2H-10,4a-(Epoxymethano)phenanthren-12-one, 7-ethenyl-1,3,4,4b,5,6,7,9,10,10a-decahydro-4b,9,10-trihydroxy-1,1,7-trimethyl-, (4aR,4bR,7S,9R,10S,10aS)-,39022-38-3

Identifiers / External links

Structure

  • Smiles: CC1(CCCC23C1C(C(C4=CC(CCC42O)(C)C=C)O)(OC3=O)O)C

  • Isomeric smiles: C[C@@]1(CC[C@]2(C(=C1)[C@H]([C@@]3([C@@H]4[C@@]2(CCCC4(C)C)C(=O)O3)O)O)O)C=C

  • Inchi: InChI=1S/C20H28O5/c1-5-17(4)9-10-19(23)12(11-17)13(21)20(24)14-16(2,3)7-6-8-18(14,19)15(22)25-20/h5,11,13-14,21,23-24H,1,6-10H2,2-4H3/t13-,14+,17+,18+,19-,20-/m1/s1

  • Inchikey: XJXDJAQAAAVDCT-RHOFUAETSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C20H28O5

  • Molecular weight: 348.40

  • Monoisotopic mass: 348.19367399

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