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11beta-hydroxycurvularin

  • Formula: C16H20O6

  • Molecular weight: 308.33

  • Smiles: CC1CCCC(CC(=O)C2=C(CC(=O)O1)C=C(C=C2O)O)O

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11beta-hydroxycurvularin

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

  • Mycotoxin name: 11beta-hydroxycurvularin

  • First synonym: 60821-04-7

  • Synonyms: 60821-04-7,11beta-Hydroxycurvularin,MLS004257383,CHEMBL516578,ACon1_000411,DTXSID80976294,ZINC6037575,NCGC00169104-01,SMR003082514,BRD-K68254834-001-01-7,(4S)-4,5,6,7,8,9-Hexahydro-8beta,11,13-trihydroxy-4-methyl-2H-3-benzoxacyclododecin-2,10(1H)-dione,(4S,8R)-8,11,13-trihydroxy-4-methyl-4,5,6,7,8,9-hexahydro-1H-benzo[d][1]oxacyclododecine-2,10-dione,2H-3-Benzoxacyclododecin-2,10(1H)-dione, 4,5,6,7,8,9-hexahydro-8,11,13-trihydroxy-4-methyl-, (4S,8R)-,8,11,13-Trihydroxy-4-methyl-4,5,6,7,8,9-hexahydro-2H-3-benzoxacyclododecine-2,10(1H)-dione

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Structure

  • Smiles: CC1CCCC(CC(=O)C2=C(CC(=O)O1)C=C(C=C2O)O)O

  • Isomeric smiles: C[C@H]1CCC[C@H](CC(=O)C2=C(CC(=O)O1)C=C(C=C2O)O)O

  • Inchi: InChI=1S/C16H20O6/c1-9-3-2-4-11(17)7-13(19)16-10(6-15(21)22-9)5-12(18)8-14(16)20/h5,8-9,11,17-18,20H,2-4,6-7H2,1H3/t9-,11+/m0/s1

  • Inchikey: QPBNFQKLPIXNFL-GXSJLCMTSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C16H20O6

  • Molecular weight: 308.33

  • Monoisotopic mass: 308.12598835

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