Austalide k
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Formula: C25H32O5
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Molecular weight: 412.50
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Smiles: CC1=C2COC(=O)C2=C(C3=C1OC4(CCC5C(C(=O)CCC5(C4C3)C)(C)C)C)OC
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Type: Furo[3,4-g]-1-benzopyran
Austalide k
Names
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Mycotoxin name: Austalide k
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First synonym: Austalide k
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Synonyms: Austalide K,87833-53-2,DTXSID401007817,2H-Benzo(a)furo(3,4-i)xanthene-3,11-dione, 1,4,4a,5,6,6a,9,13,13a,13b-decahydro-12-methoxy-4,4,6a,8,13b-pentamethyl-, (4aR,6aS,13aR,13bS)-,12-Methoxy-4,4,6a,8,13b-pentamethyl-1,4,4a,5,6,6a,9,13,13a,13b-decahydro-2H-benzo[a]furo[3,4-i]xanthene-3,11-dione
Identifiers / External links
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CAS: 87833-53-2
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PubChem CID: 159166
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ChemSpiderID: 26503486
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Chemical Entities of Biological Interest (CHEBI): CHEBI:191807
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CompTox Chemicals Dashboard (DTXSID): DTXSID401007817
Structure
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Smiles: CC1=C2COC(=O)C2=C(C3=C1OC4(CCC5C(C(=O)CCC5(C4C3)C)(C)C)C)OC
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Isomeric smiles: CC1=C2COC(=O)C2=C(C3=C1O[C@]4(CC[C@@H]5[C@@]([C@H]4C3)(CCC(=O)C5(C)C)C)C)OC
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Inchi: InChI=1S/C25H32O5/c1-13-15-12-29-22(27)19(15)21(28-6)14-11-17-24(4)9-8-18(26)23(2,3)16(24)7-10-25(17,5)30-20(13)14/h16-17H,7-12H2,1-6H3/t16-,17+,24-,25-/m0/s1
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Inchikey: JCUWKPURUZEBFJ-MZXZQTHYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C25H32O5
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Molecular weight: 412.50
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Monoisotopic mass: 412.22497412
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Fungi
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Fungi id Species 279 Aspergillus ustus