4-Methylumberiferryl-alpha-D-glucopyranoside

Catalog	BBC17833431
CAS	17833-43-1
Structure
Synonyms	2H-1-Benzopyran-2-one, 7-(α-D-glucopyranosyloxy)-4-methyl-
IUPAC Name	4-Methyl-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Molecular Weight	338.31
Molecular Formula	C16H18O8
Canonical SMILES	CC1=CC(=O)OC2=C1C=CC(=C2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI	InChI=1S/C16H18O8/c1-7-4-12(18)23-10-5-8(2-3-9(7)10)22-16-15(21)14(20)13(19)11(6-17)24-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16+/m1/s1
InChI Key	YUDPTGPSBJVHCN-JZYAIQKZSA-N
Boiling Point	626.9±55.0 °C
Melting Point	171-173 °C
Purity	98%
Density	1.522±0.06 g/ml
Appearance	White to off-white solid
pKa	12.73±0.70