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Sch 642305

  • Formula: C14H20O4

  • Molecular weight: 252.31

  • Smiles: CC1CCCCC2C(CC(=O)O1)C(C=CC2=O)O

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Sch 642305

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

  • Mycotoxin name: Sch 642305

  • First synonym: Sch 642305

  • Synonyms: Sch 642305,SCH-642305,CHEMBL453428,CHEBI:66181,(+)-sch 642305,(4S,8aR,12S,12aR)-12-hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-1H-3-benzoxecine-2,9-dione,(4S,8aR,12S,12aR)-12-Hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-2H-3-benzoxecine-2,9(1H)-dione,643747-04-0,2H-3-Benzoxecin-2,9(1H)-dione, 4,5,6,7,8,8a,12,12a-octahydro-12-hydroxy-4-methyl-, (4S,8aR,12S,12aR)-,BDBM50250671,Q15424766,4-Hydroxy-8-methyl-4a,5,8,9,10,11,12,12a-octahydro-4H-7-oxa-benzocyclodecene-1,6-dione,(4S,8aR,12S,12aR)-12-hydroxy-4-methyl-4,5,6,7,8,8a-hexahydro-1H-benzo[d]oxecine-2,9(12H,12aH)-dione,rel-(4R,8aS,12R,12aS)-12-hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-2H-3-benzoxecine-2,9(1H)-dione

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Structure

  • Smiles: CC1CCCCC2C(CC(=O)O1)C(C=CC2=O)O

  • Isomeric smiles: C[C@H]1CCCC[C@@H]2[C@@H](CC(=O)O1)[C@H](C=CC2=O)O

  • Inchi: InChI=1S/C14H20O4/c1-9-4-2-3-5-10-11(8-14(17)18-9)13(16)7-6-12(10)15/h6-7,9-11,13,16H,2-5,8H2,1H3/t9-,10+,11+,13-/m0/s1

  • Inchikey: WTQWDNIIFGEBSZ-WGBDABJCSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C14H20O4

  • Molecular weight: 252.31

  • Monoisotopic mass: 252.13615911

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