Description
Globularin is a natural iridoid isolated from the herb of Globularia alypum.
Synonyms
[(1aS)-1a,1bα,2,5aα,6,6aβ-Hexahydro-6α-hydroxy-1aβ-[[[(E)-1-oxo-3-phenyl-2-propenyl]oxy]methyl]oxireno[4,5]cyclopenta[1,2-c]pyran-2α-yl]β-D-glucopyranoside
IUPAC Name
[(1S,2S,4S,5S,6R,10S)-5-hydroxy-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-2-yl]methyl (E)-3-phenylprop-2-enoate
Molecular Formula
C24H28O11
Canonical SMILES
C1=CC=C(C=C1)C=CC(=O)OCC23C4C(C=COC4OC5C(C(C(C(O5)CO)O)O)O)C(C2O3)O
InChI
InChI=1S/C24H28O11/c25-10-14-18(28)19(29)20(30)23(33-14)34-22-16-13(8-9-31-22)17(27)21-24(16,35-21)11-32-15(26)7-6-12-4-2-1-3-5-12/h1-9,13-14,16-23,25,27-30H,10-11H2/b7-6+/t13-,14-,16-,17+,18-,19+,20-,21+,22+,23+,24-/m1/s1
InChIKey
SCIGYBYAZUFDLA-LUVHZPKESA-N
Boiling Point
778.6±60.0°C (Predicted)
Density
1.56±0.1 g/cm3(Predicted)
pKa
12.79±0.70(Predicted)