Matairesinol 4'-O-beta-gentiobioside

CAS	106647-14-7
Synonyms	Matairesinol 4′-O-β-D-glucopyranoside
IUPAC Name	4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[[3-methoxy-4-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]methyl]oxolan-2-one
Molecular Weight	682.7
Molecular Formula	C32H42O16
Canonical SMILES	COC1=C(C=CC(=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)O)OC)O
InChI	InChI=1S/C32H42O16/c1-42-20-9-14(3-5-18(20)34)7-16-12-44-30(41)17(16)8-15-4-6-19(21(10-15)43-2)46-32-29(40)27(38)25(36)23(48-32)13-45-31-28(39)26(37)24(35)22(11-33)47-31/h3-6,9-10,16-17,22-29,31-40H,7-8,11-13H2,1-2H3
InChI Key	SSZQYOJANKKXOX-UHFFFAOYSA-N
Boiling Point	950.5±65.0 °C
Purity	98%
Density	1.55±0.1 g/ml
pKa	10.02±0.20
Appearance	Powder