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Butyrolactone iv

  • Formula: C24H24O8

  • Molecular weight: 440.40

  • Smiles: CC(C)(C1CC2=C(O1)C=CC(=C2)CC3(C(=C(C(=O)O3)O)C4=CC=C(C=C4)O)C(=O)OC)O

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Butyrolactone iv

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

Names

  • Mycotoxin name: Butyrolactone iv

  • First synonym: Butyrolactone iv

  • Synonyms: Butyrolactone IV,Butylrolactone IV,CHEMBL2035562,BDBM50453564,CCG-208783,(2R)-2-[[(2R)-2beta-(1-Methyl-1-hydroxyethyl)-2,3-dihydrobenzofuran-5-yl]methyl]-3-(4-hydroxyphenyl)-4-hydroxy-5-oxo-2,5-dihydrofuran-2beta-carboxylic acid methyl ester

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Structure

  • Smiles: CC(C)(C1CC2=C(O1)C=CC(=C2)CC3(C(=C(C(=O)O3)O)C4=CC=C(C=C4)O)C(=O)OC)O

  • Isomeric smiles: CC(C)([C@H]1CC2=C(O1)C=CC(=C2)C[C@@]3(C(=C(C(=O)O3)O)C4=CC=C(C=C4)O)C(=O)OC)O

  • Inchi: InChI=1S/C24H24O8/c1-23(2,29)18-11-15-10-13(4-9-17(15)31-18)12-24(22(28)30-3)19(20(26)21(27)32-24)14-5-7-16(25)8-6-14/h4-10,18,25-26,29H,11-12H2,1-3H3/t18-,24-/m1/s1

  • Inchikey: NVAIFFOQCAKMAH-HOYKHHGWSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C24H24O8

  • Molecular weight: 440.40

  • Monoisotopic mass: 440.14711772

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