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Austalide g

  • Formula: C28H38O9

  • Molecular weight: 518.60

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

  • Type: Furo[3,4-g]-1-benzopyran

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Austalide g

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

Names

  • Mycotoxin name: Austalide g

  • First synonym: Austalide g

  • Synonyms: Austalide G,UNII-6H584T9PPK,6H584T9PPK,96817-09-3,CHEBI:171674,1H-Furo(3,4-b)xanthene-9-propanoic acid, 7-(acetyloxy)-3,5a,6,7,8,9,9a,10-octahydro-8-(1-hydroxy-1-methylethyl)-11-methoxy-4,5a,9-trimethyl-1-oxo-, methyl ester, (5aS,7R,8S,9R,9aR)-,1H-Furo(3,4-b)xanthene-9-propanoic acid, 7-(acetyloxy)-3,5a,6,7,8,9,9a,10-octahydro-8-(1-hydroxy-1-methylethyl)-11-methoxy-4,5a,9-trimethyl-1-oxo-, methyl ester, (5as-(5aalpha,7beta,8beta,9alpha,9aalpha))-,methyl 3-[(5aS,7R,8S,9R,9aR)-7-acetyloxy-8-(2-hydroxypropan-2-yl)-11-methoxy-4,5a,9-trimethyl-1-oxo-3,6,7,8,9a,10-hexahydro-[2]benzouro[5,6-b]chromen-9-yl]propanoate

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Structure

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

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

  • Inchi: InChI=1S/C28H38O9/c1-14-17-13-35-25(31)21(17)23(34-8)16-11-19-27(5,10-9-20(30)33-7)24(26(3,4)32)18(36-15(2)29)12-28(19,6)37-22(14)16/h18-19,24,32H,9-13H2,1-8H3/t18-,19-,24+,27-,28+/m1/s1

  • Inchikey: ZOYRWINBLNBGCP-CRFIOEGSSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C28H38O9

  • Molecular weight: 518.60

  • Monoisotopic mass: 518.25158279

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