Erythro-Guaiacylglycerol Beta-Sinapyl Ether 7-O-Glucoside

CAS	412029-03-9
Synonyms	β-D-Glucopyranoside, 3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-[4-[(1E)-3-hydroxy-1-propen-1-yl]-2,6-dimethoxyphenoxy]propyl
IUPAC Name	(2R,3R,4S,5S,6R)-2-[3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	568.57
Molecular Formula	C27H36O13
Canonical SMILES	COC1=CC(=CC(=C1OC(CO)C(C2=CC(=C(C=C2)O)OC)OC3C(C(C(C(O3)CO)O)O)O)OC)C=CCO
InChI	InChI=1S/C27H36O13/c1-35-17-11-15(6-7-16(17)31)25(40-27-24(34)23(33)22(32)20(12-29)39-27)21(13-30)38-26-18(36-2)9-14(5-4-8-28)10-19(26)37-3/h4-7,9-11,20-25,27-34H,8,12-13H2,1-3H3/b5-4+/t20-,21?,22-,23+,24-,25?,27+/m1/s1
InChI Key	BPUKWANBFFNAJE-RLMPZANRSA-N
Purity	98%
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