(-)-Syringaresinol-4-O-beta-D-glucopyranoside

Catalog	BBC137038132
CAS	137038-13-2
Synonyms	Episyringaresinol 4'-O-β-D-glncopyranoside
IUPAC Name	(2S,3R,4S,5S,6R)-2-[4-[(3R,3aS,6R,6aS)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	580.58
Molecular Formula	C28H36O13
Canonical SMILES	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3CO[C@H]([C@@H]3CO2)C4=CC(=C(C(=C4)OC)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OC
InChI	InChI=1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3/t14-,15-,20-,22-,23+,24-,25+,26+,28+/m1/s1
InChI Key	WEKCEGQSIIQPAQ-FKLBZQFOSA-N
Boiling Point	778.5±60.0 °C
Purity	98%
Density	1.399±0.06 g/ml
Appearance	Solid
pKa	9.85±0.40