2,7-Dimethyl-1,4-Dihydroxynaphthalene 1-O-Glucoside

CAS	839711-70-5
Synonyms	β-D-Glucopyranoside, 4-hydroxy-2,7-dimethyl-1-naphthalenyl
IUPAC Name	(2S,3R,4S,5S,6R)-2-(4-hydroxy-2,7-dimethylnaphthalen-1-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	350.37
Molecular Formula	C18H22O7
Canonical SMILES	CC1=CC2=C(C(=CC(=C2C=C1)O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI	InChI=1S/C18H22O7/c1-8-3-4-10-11(5-8)17(9(2)6-12(10)20)25-18-16(23)15(22)14(21)13(7-19)24-18/h3-6,13-16,18-23H,7H2,1-2H3/t13-,14-,15+,16-,18+/m1/s1
InChI Key	ZMEFPRRKVCVENF-QFXBJFAPSA-N
Boiling Point	644.3±55.0 °C
Purity	98%
Density	1.450±0.06 g/ml
pKa	10.20±0.40
Appearance	Solid