(+)-Piresil-4-O-beta-D-glucopyraside

CAS	69251-96-3
Synonyms	3,5-Dibromo-benzoic acid
IUPAC Name	(2S,3R,4S,5S,6R)-2-[4-[(3S,3aR,6S,6aR)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	520.53
Molecular Formula	C26H32O11
Canonical SMILES	COC1=C(C=CC(=C1)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OC)O
InChI	InChI=1S/C26H32O11/c1-32-18-7-12(3-5-16(18)28)24-14-10-35-25(15(14)11-34-24)13-4-6-17(19(8-13)33-2)36-26-23(31)22(30)21(29)20(9-27)37-26/h3-8,14-15,20-31H,9-11H2,1-2H3/t14-,15-,20+,21+,22-,23+,24+,25+,26+/m0/s1
InChI Key	QLJNETOQFQXTLI-WMYFGKAISA-N
Boiling Point	752.5±60.0 °C
Melting Point	102-104 °C
Purity	98%
Density	1.418±0.06 g/ml
pKa	9.84±0.35
Appearance	Powder