Austalide h
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Formula: C26H36O8
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Molecular weight: 476.60
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Smiles: CC1=C2COC(=O)C2=C(C3=C1OC4(CC(C(C(C4C3)(C)CCC(=O)OC)C(C)(C)O)O)C)OC
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Type: Furo[3,4-g]-1-benzopyran
Austalide h
Names
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Mycotoxin name: Austalide h
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First synonym: Austalide h
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Synonyms: Austalide H,UNII-GUG8QN57G3,GUG8QN57G3,96817-10-6,methyl 3-[7-hydroxy-8-(2-hydroxypropan-2-yl)-11-methoxy-4,5a,9-trimethyl-1-oxo-3,6,7,8,9a,10-hexahydro-[2]benzofuro[5,6-b]chromen-9-yl]propanoate,CHEBI:182248,NCGC00380402-01,NCGC00380402-01_C26H36O8_,1H-Furo(3,4-b)xanthene-9-propanoic acid, 3,5a,6,7,8,9,9a,10-octahydro-7-hydroxy-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, 3,5a,6,7,8,9,9a,10-octahydro-7-hydroxy-8-(1-hydroxy-1-methylethyl)-11-methoxy-4,5a,9-trimethyl-1-oxo-, methyl ester, (5as-(5aalpha,7beta,8beta,9alpha,9aalpha))-,methyl 3-[7-hydroxy-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
Identifiers / External links
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CAS: 96817-10-6
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PubChem CID: 75368790
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US FDA (UNII): UNII-GUG8QN57G3
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Chemical Entities of Biological Interest (CHEBI): CHEBI:182248
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CompTox Chemicals Dashboard (DTXSID): DTXSID901098895
Structure
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Smiles: CC1=C2COC(=O)C2=C(C3=C1OC4(CC(C(C(C4C3)(C)CCC(=O)OC)C(C)(C)O)O)C)OC
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Isomeric smiles: CC1=C2COC(=O)C2=C(C3=C1OC4(CC(C(C(C4C3)(C)CCC(=O)OC)C(C)(C)O)O)C)OC
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Inchi: InChI=1S/C26H36O8/c1-13-15-12-33-23(29)19(15)21(32-7)14-10-17-25(4,9-8-18(28)31-6)22(24(2,3)30)16(27)11-26(17,5)34-20(13)14/h16-17,22,27,30H,8-12H2,1-7H3
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Inchikey: LQLBJBHPDHBGLH-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C26H36O8
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Molecular weight: 476.60
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Monoisotopic mass: 476.2410181
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Fungi
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Fungi id Species 279 Aspergillus ustus