(+)-Mediresinol Di-O-β-D-glucopyranoside

Catalog	BBC88142636
CAS	88142-63-6
Synonyms	β-D-Glucopyranoside, 4-[(1S,3aR,4S,6aS)-4-[4-(β-D-glucopyranosyloxy)-3,5-dimethoxyphenyl]tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenyl
IUPAC Name	(2S,3R,4S,5S,6R)-2-[4-[(3R,3aS,6R,6aS)-6-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	712.7
Molecular Formula	C33H44O17
Canonical SMILES	COC1=CC(=CC(=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC)[C@H]3[C@@H]4CO[C@H]([C@@H]4CO3)C5=CC(=C(C=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)OC
InChI	InChI=1S/C33H44O17/c1-42-18-6-13(4-5-17(18)47-32-27(40)25(38)23(36)21(9-34)48-32)29-15-11-46-30(16(15)12-45-29)14-7-19(43-2)31(20(8-14)44-3)50-33-28(41)26(39)24(37)22(10-35)49-33/h4-8,15-16,21-30,32-41H,9-12H2,1-3H3/t15-,16-,21-,22-,23-,24-,25+,26+,27-,28-,29+,30+,32-,33+/m1/s1
InChI Key	WENLQSBQPMFCOA-HGEBJKQYSA-N
Boiling Point	926.4±65.0 °C
Melting Point	232-234 °C
Purity	98%
Density	1.486±0.06 g/ml
Appearance	Solid
pKa	12.75±0.70