Description
Phomaligol A is an antibacterial metabolite produced from marine-derived fungus Aspergillus flavus.
Synonyms
Butanoic acid, 2-methyl-, (1R,5R)-5-hydroxy-4-methoxy-1,5-dimethyl-2,6-dioxo-3-cyclohexen-1-yl ester, (2S)-
IUPAC Name
[(1R,5R)-5-hydroxy-4-methoxy-1,5-dimethyl-2,6-dioxocyclohex-3-en-1-yl] (2S)-2-methylbutanoate
Molecular Formula
C14H20O6
Canonical SMILES
CCC(C)C(=O)OC1(C(=O)C=C(C(C1=O)(C)O)OC)C
InChI
InChI=1S/C14H20O6/c1-6-8(2)11(16)20-14(4)9(15)7-10(19-5)13(3,18)12(14)17/h7-8,18H,6H2,1-5H3/t8-,13+,14+/m0/s1
InChIKey
DWJRXSZPSOQYDZ-MCCGJVOXSA-N
Boiling Point
434.2±45.0°C (Predicted)
Density
1.20±0.1 g/cm3 (Predicted)
Solubility
Soluble in Chloroform