1-O-Galloyl-6-O-Cinnamoylglucose

CAS	115746-69-5
Synonyms	1-O-galloyl-6-O-cinnamoyl-β-D-glucose
IUPAC Name	[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-phenylprop-2-enoyl]oxymethyl]oxan-2-yl] 3,4,5-trihydroxybenzoate
Molecular Weight	462.41
Molecular Formula	C22H22O11
Canonical SMILES	C1=CC=C(C=C1)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O
InChI	InChI=1S/C22H22O11/c23-13-8-12(9-14(24)17(13)26)21(30)33-22-20(29)19(28)18(27)15(32-22)10-31-16(25)7-6-11-4-2-1-3-5-11/h1-9,15,18-20,22-24,26-29H,10H2/b7-6+/t15-,18-,19+,20-,22+/m1/s1
InChI Key	REBRERQNUHGTMS-PCGJYRBUSA-N
Boiling Point	815.4±65.0 °C
Purity	98%
Density	1.61±0.1 g/ml
pKa	7.70±0.25
Appearance	Solid