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Austalide j

  • Formula: C25H32O7

  • Molecular weight: 444.50

  • Smiles: CC1=C2COC(=O)C2=C(C3=C1OC4(CCC5(C(OC(=O)CCC5(C4C3)C)(C)C)O)C)OC

  • Type: Furo[3,4-g]-1-benzopyran

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Austalide j

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

Names

  • Mycotoxin name: Austalide j

  • First synonym: Austalide j

  • Synonyms: Austalide J,UNII-57NBD2UC3Y,57NBD2UC3Y,87833-51-0,MLS000876824,MEGxm0_000169,CHEMBL1470356,ACon0_000981,CHEBI:175564,DTXSID701007816,HMS2270P07,NCGC00244967-01,5H-Furo(3,4-i)oxepino(4,3-a)xanthene-3,12-dione,1,2,5a,6,7,7a,10,14,14a,14b-decahydro-5a-hydroxy-13-methoxy-5,5,7a,9,14b-pentamethyl-, (5aS,7aS,14aR,14bR)-,SMR000440574,(1S,13R,14R,20S)-20-hydroxy-10-methoxy-1,4,14,19,19-pentamethyl-2,7,18-trioxapentacyclo[11.9.0.03,11.05,9.014,20]docosa-3(11),4,9-triene-8,17-dione,5a-Hydroxy-13-methoxy-5,5,7a,9,14b-pentamethyl-1,2,5a,6,7,7a,10,14,14a,14b-decahydro-5H-furo[3,4-i]oxepino[4,3-a]xanthene-3,12-dione

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Structure

  • Smiles: CC1=C2COC(=O)C2=C(C3=C1OC4(CCC5(C(OC(=O)CCC5(C4C3)C)(C)C)O)C)OC

  • Isomeric smiles: CC1=C2COC(=O)C2=C(C3=C1O[C@]4(CC[C@@]5([C@@]([C@H]4C3)(CCC(=O)OC5(C)C)C)O)C)OC

  • Inchi: InChI=1S/C25H32O7/c1-13-15-12-30-21(27)18(15)20(29-6)14-11-16-23(4)8-7-17(26)31-22(2,3)25(23,28)10-9-24(16,5)32-19(13)14/h16,28H,7-12H2,1-6H3/t16-,23-,24+,25-/m1/s1

  • Inchikey: GEOMINBWFXSCOW-OCFMFRIESA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C25H32O7

  • Molecular weight: 444.50

  • Monoisotopic mass: 444.21480336

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