Analyte Name

1,2,3,4,6-Penta-O-galloyl-a-D-glucopyranose

CAS Number

70470-10-9

Molecular Formula

C41H32O26

Molecular Weight

940.68

Accurate Mass

940.12

SMILES

O(C(=O)C1=CC(O)=C(O)C(O)=C1)[C@@H]2[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](OC(=O)C4=CC(O)=C(O)C(O)=C4)O[C@H](COC(=O)C5=CC(O)=C(O)C(O)=C5)[C@H]2OC(=O)C6=CC(O)=C(O)C(O)=C6

InChI

InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33-,34+,35-,41-/m1/s1

IUPAC

(2R,3R,4S,5R,6R)-6-(((3,4,5-Trihydroxybenzoyl)oxy)methyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetrakis(3,4,5-trihydroxybenzoate)

Country of Origin

CANADA

Product Format

Neat