Aszonapyrone a
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Formula: C28H40O5
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Molecular weight: 456.60
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Smiles: CC1=CC(=C(C(=O)O1)CC2C(=C)CCC3C2(CCC4C3(CCC(C4(C)C)OC(=O)C)C)C)O
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Type: Pyrone
Aszonapyrone a
Names
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Mycotoxin name: Aszonapyrone a
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First synonym: Aszonapyrone a
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Synonyms: Aszonapyrone A,83103-08-6,[(2S,4aR,4bS,8R,8aS,10aR)-8-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)methyl]-1,1,4a,8a-tetramethyl-7-methylidene-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthren-2-yl] acetate,3-[[(1R,4aS,4bR,7S,8aR,10aS)-7-(acetyloxy)tetradecahydro-4b,8,8,10a-tetramethyl-2-methylene-1-phenanthrenyl]methyl]-4-hydroxy-6-methyl-2H-pyran-2-one
Identifiers / External links
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CAS: 83103-08-6
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PubChem CID: 102583559
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ChemSpiderID: 30771089
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Chemical Entities of Biological Interest (CHEBI): CHEBI:219189
Structure
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Smiles: CC1=CC(=C(C(=O)O1)CC2C(=C)CCC3C2(CCC4C3(CCC(C4(C)C)OC(=O)C)C)C)O
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Isomeric smiles: CC1=CC(=C(C(=O)O1)C[C@@H]2C(=C)CC[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)OC(=O)C)C)C)O
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Inchi: InChI=1S/C28H40O5/c1-16-8-9-23-27(6,20(16)15-19-21(30)14-17(2)32-25(19)31)12-10-22-26(4,5)24(33-18(3)29)11-13-28(22,23)7/h14,20,22-24,30H,1,8-13,15H2,2-7H3/t20-,22+,23+,24+,27+,28+/m1/s1
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Inchikey: QZWJQNIIRYNONX-NEKODSHDSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C28H40O5
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Molecular weight: 456.60
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Monoisotopic mass: 456.28757437
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Fungi
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Fungi id Species 294 Aspergillus zonatus