11-O-Galloylbergenin

Catalog	BBC82958449
CAS	82958-44-9
Synonyms	Benzoic acid, 3,4,5-trihydroxy-, [(2R,3S,4S,4aR,10bS)-2,3,4,4a,6,10b-hexahydro-3,4,8,10-tetrahydroxy-9-methoxy-6-oxopyrano[3,2-c][2]benzopyran-2-yl]methyl ester
IUPAC Name	(3,4,8,10-tetrahydroxy-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-2-yl)methyl 3,4,5-trihydroxybenzoate
Molecular Weight	480.38
Molecular Formula	C21H20O13
Canonical SMILES	COC1=C(C=C2C(=C1O)C3C(C(C(C(O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)OC2=O)O
InChI	InChI=1S/C21H20O13/c1-31-17-10(24)4-7-12(15(17)27)18-19(34-21(7)30)16(28)14(26)11(33-18)5-32-20(29)6-2-8(22)13(25)9(23)3-6/h2-4,11,14,16,18-19,22-28H,5H2,1H3
InChI Key	CDRRULDABVKKHU-UHFFFAOYSA-N
Boiling Point	887.5±65.0 °C
Melting Point	269 °C
Purity	98%
Density	1.713±0.06 g/ml
Appearance	Solid
pKa	7.82±0.25