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Ll-s491beta

  • Formula: C20H26O5

  • Molecular weight: 346.40

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

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Ll-s491beta

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

  • Mycotoxin name: Ll-s491beta

  • First synonym: Sphaeropsidin a

  • Synonyms: SPHAEROPSIDIN A,UNII-9F59Q9OS1I,9F59Q9OS1I,CHEBI:69494,LL-S491beta,Antibiotic LL-S491beta,Sphaeropsidin A, (+)-,MLS003373242,CHEMBL1834675,NSC765878,NSC-765878,SMR002047999,Q27137833,(2R,4aR,4bR,8aS,9S)-4a,9-dihydroxy-2,8,8-trimethyl-2-vinyl-4,4a,5,6,7,8,8a,9-octahydro-2H-9,4b-(epoxymethano)phenanthrene-10,12(3H)-dione,(4aR,4bR,7R,10S,10aS)-7-Ethenyl-1,2,3,4,4b,5,6,7,10,10a-decahydro-4b,10-dihydroxy-1,1,7-trimethyl-9H-10,4a-(epoxymethano)phenanthrene-9,12-dione,38991-80-9,9H-10,4a-(Epoxymethano)phenanthrene-9,12-dione, 7-ethenyl-1,2,3,4,4b,5,6,7,10,10a-decahydro-4b,10-dihydroxy-1,1,7-trimethyl-, (4aR,4bR,7R,10S,10aS)-

Identifiers / External links

Structure

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

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

  • Inchi: InChI=1S/C20H26O5/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/h5,11,14,23-24H,1,6-10H2,2-4H3/t14-,17-,18-,19+,20+/m0/s1

  • Inchikey: FEKFUWWVNCCROX-SQWSIXGCSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C20H26O5

  • Molecular weight: 346.40

  • Monoisotopic mass: 346.17802393

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