2",4"-Di-O-(Z-p-coumaroyl)afzelin

CAS	205534-17-4
Synonyms	4H-1-Benzopyran-4-one, 3-[[6-deoxy-2,4-bis-O-[(2Z)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-α-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-
IUPAC Name	[(2S,3R,4R,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4-hydroxy-5-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-2-methyloxan-3-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate
Molecular Weight	724.66
Molecular Formula	C39H32O14
Canonical SMILES	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)OC(=O)/C=C\C5=CC=C(C=C5)O)O)OC(=O)/C=C\C6=CC=C(C=C6)O
InChI	InChI=1S/C39H32O14/c1-20-35(51-30(45)16-6-21-2-10-24(40)11-3-21)34(48)38(52-31(46)17-7-22-4-12-25(41)13-5-22)39(49-20)53-37-33(47)32-28(44)18-27(43)19-29(32)50-36(37)23-8-14-26(42)15-9-23/h2-20,34-35,38-44,48H,1H3/b16-6-,17-7-/t20-,34+,35-,38+,39-/m0/s1
InChI Key	KMOHJUXDKSMQOG-CPUVFPGGSA-N
Boiling Point	966.9±65.0 °C
Purity	98%
Density	1.58±0.1 g/ml
pKa	6.20±0.40
Appearance	Solid