Alpinone 3-Acetate

Catalog	BBC139906493
CAS	139906-49-3
Synonyms	4H-1-Benzopyran-4-one, 3-(acetyloxy)-2,3-dihydro-5-hydroxy-7-methoxy-2-phenyl-, (2R,3R)-
IUPAC Name	[(2R,3R)-5-Hydroxy-7-methoxy-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl] acetate
Molecular Weight	328.32
Molecular Formula	C18H16O6
Canonical SMILES	CC(=O)O[C@@H]1[C@H](OC2=CC(=CC(=C2C1=O)O)OC)C3=CC=CC=C3
InChI	InChI=1S/C18H16O6/c1-10(19)23-18-16(21)15-13(20)8-12(22-2)9-14(15)24-17(18)11-6-4-3-5-7-11/h3-9,17-18,20H,1-2H3/t17-,18+/m1/s1
InChI Key	XXVKJERGKQQVSX-MSOLQXFVSA-N
Boiling Point	535.3±50.0 °C
Purity	98%
Density	1.37±0.1 g/ml
Appearance	Solid
pKa	7.16±0.60