Corilagin

CAS	23094-69-1
Structure
Synonyms	1-O-Galloyl-3,6-hexahydroxydiphenol-b-D-Glucopyranose
IUPAC Name	[(1S,19R,21S,22R,23R)-6,7,8,11,12,13,22,23-octahydroxy-3,16-dioxo-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-21-yl] 3,4,5-trihydroxybenzoate
Molecular Weight	634.45
Molecular Formula	C27H22O18
Canonical SMILES	C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)O)O)O
InChI	InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)23-19(35)13(43-27)5-42-25(40)7-3-11(30)17(33)20(36)14(7)15-8(26(41)44-23)4-12(31)18(34)21(15)37/h1-4,13,19,22-23,27-38H,5H2/t13-,19-,22-,23+,27+/m1/s1
InChI Key	TUSDEZXZIZRFGC-XIGLUPEJSA-N
Boiling Point	1280.8±65.0 °C
Melting Point	>200 °C
Purity	98%
Density	2.11±0.1 g/ml
pKa	7.53±0.70
Appearance	Powder