Heraclel 3'-O-beta-D-glucopyraside

Catalog	BBC32207106
CAS	32207-10-6
Synonyms	7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(2R)-3-(β-D-glucopyranosyloxy)-2-hydroxy-3-methylbutoxy]-
IUPAC Name	9-[(2R)-2-hydroxy-3-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]furo[3,2-g]chromen-7-one
Molecular Weight	466.44
Molecular Formula	C22H26O11
Canonical SMILES	CC(C)([C@@H](COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI	InChI=1S/C22H26O11/c1-22(2,33-21-17(28)16(27)15(26)12(8-23)31-21)13(24)9-30-20-18-11(5-6-29-18)7-10-3-4-14(25)32-19(10)20/h3-7,12-13,15-17,21,23-24,26-28H,8-9H2,1-2H3/t12-,13-,15-,16+,17-,21+/m1/s1
InChI Key	CDKAMOZNCWECGP-DOKKCILGSA-N
Boiling Point	769.2±60.0 °C
Purity	98%
Density	1.54±0.1 g/ml
Appearance	Solid
pKa	12.89±0.70