(-)-Syringaresnol-4-O-Β-D-Apiofuranosyl-(1→2)-Β-D-Glucopyranoside

CAS	136997-64-3
Synonyms	(2)-β-D-glucopyranosidey
IUPAC Name	(2S,3R,4S,5R,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]-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,5-diol
Molecular Weight	712.7
Molecular Formula	C33H44O17
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[C@H]6[C@@H]([C@](CO6)(CO)O)O)O)OC
InChI	InChI=1S/C33H44O17/c1-41-18-5-14(6-19(42-2)23(18)36)26-16-10-46-27(17(16)11-45-26)15-7-20(43-3)28(21(8-15)44-4)49-31-25(38)29(24(37)22(9-34)48-31)50-32-30(39)33(40,12-35)13-47-32/h5-8,16-17,22,24-27,29-32,34-40H,9-13H2,1-4H3/t16-,17-,22-,24-,25-,26+,27+,29+,30+,31+,32+,33-/m1/s1
InChI Key	RRKNBLZWFVIWPC-RKEBKKKYSA-N
Boiling Point	922.7±65.0 °C
Melting Point	119-121 °C
Purity	98%
Density	1.54±0.1 g/ml
pKa	9.85±0.40
Appearance	Powder