Sibiricose A6

CAS	241125-75-7
Synonyms	3-O-[(2E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-beta-D-fructofuranosyl alpha-D-glucopyranoside
IUPAC Name	[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
Molecular Weight	548.49
Molecular Formula	C23H32O15
Canonical SMILES	COC1=CC(=CC(=C1O)OC)/C=C/C(=O)O[C@H]2[C@@H]([C@H](O[C@@]2(CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CO)O
InChI	InChI=1S/C23H32O15/c1-33-11-5-10(6-12(34-2)16(11)28)3-4-15(27)36-21-18(30)14(8-25)37-23(21,9-26)38-22-20(32)19(31)17(29)13(7-24)35-22/h3-6,13-14,17-22,24-26,28-32H,7-9H2,1-2H3/b4-3+/t13-,14-,17-,18-,19+,20-,21+,22-,23+/m1/s1
InChI Key	WTCVROXOIQEIRC-IBVGEFGBSA-N
Purity	98%
Density	1.61±0.1 g/ml
pKa	9.75±0.3