2-O-cinnamoyl-1-O-galloyl-β-D-glucose

CAS	791836-69-6
Synonyms	β-D-Glucopyranose, 2-(3-phenyl-2-propenoate) 1-(3,4,5-trihydroxybenzoate)
IUPAC Name	[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl] 3,4,5-trihydroxybenzoate
Molecular Weight	462.41
Molecular Formula	C22H22O11
Canonical SMILES	C1=CC=C(C=C1)/C=C/C(=O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC(=O)C3=CC(=C(C(=C3)O)O)O)CO)O)O
InChI	InChI=1S/C22H22O11/c23-10-15-18(28)19(29)20(32-16(26)7-6-11-4-2-1-3-5-11)22(31-15)33-21(30)12-8-13(24)17(27)14(25)9-12/h1-9,15,18-20,22-25,27-29H,10H2/b7-6+/t15-,18-,19+,20-,22+/m1/s1
InChI Key	FISMJUPMCGKNNX-PCGJYRBUSA-N
Purity	98%
Appearance	Solid