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aspericin c

  • Formula: C17H30O4

  • Molecular weight: 298.40

  • Smiles: CC1C(CCC(O1)C(=CC(C)CC(C)C(=O)OC)C)(C)O

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aspericin c

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

  • Mycotoxin name: aspericin c

  • First synonym: None

  • Synonyms: Aspericin C,methyl (E)-6-((2S,5R,6R)-5-hydroxy-5,6-dimethyloxan-2-yl)-2,4-dimethylhept-5-enoate,methyl (E)-6-[(2S,5R,6R)-5-hydroxy-5,6-dimethyloxan-2-yl]-2,4-dimethylhept-5-enoate,HY-N10208,CS-0372750

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Structure

  • Smiles: CC1C(CCC(O1)C(=CC(C)CC(C)C(=O)OC)C)(C)O

  • Isomeric smiles: C[C@@H]1[C@](CC[C@H](O1)/C(=C/C(C)CC(C)C(=O)OC)/C)(C)O

  • Inchi: InChI=1S/C17H30O4/c1-11(10-13(3)16(18)20-6)9-12(2)15-7-8-17(5,19)14(4)21-15/h9,11,13-15,19H,7-8,10H2,1-6H3/b12-9+/t11?,13?,14-,15+,17-/m1/s1

  • Inchikey: VRKCGOOZETWBGJ-IHSAQGCHSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C17H30O4

  • Molecular weight: 298.40

  • Monoisotopic mass: 298.21440943

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