2''-O-Coumaroyljuglanin

Catalog	BBC67214055
CAS	67214-05-5
Synonyms	Kaempferol3-O-[2''-(E)-p-coumaroyl]-α-L-arabinofuranoside/2''-O-coumaroyljuglanin
IUPAC Name	[(2S,3R,4S,5S)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Molecular Weight	564.49
Molecular Formula	C29H24O12
Canonical SMILES	C1=CC(=CC=C1/C=C/C(=O)O[C@@H]2[C@H]([C@@H](O[C@H]2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)CO)O)O
InChI	InChI=1S/C29H24O12/c30-13-21-24(36)28(40-22(35)10-3-14-1-6-16(31)7-2-14)29(39-21)41-27-25(37)23-19(34)11-18(33)12-20(23)38-26(27)15-4-8-17(32)9-5-15/h1-12,21,24,28-34,36H,13H2/b10-3+/t21-,24-,28+,29-/m0/s1
InChI Key	FMIKFIFUIPULCE-QRJDQECMSA-N
Boiling Point	903.5±65.0 °C
Purity	98%
Density	1.66±0.1 g/ml
Appearance	Solid
pKa	6.20±0.40