Analyte Name

Emodin 8-O-beta-D-(6'-O-Malonylglucoside)

CAS Number

928262-58-2

Molecular Formula

C24H22O13

Molecular Weight

518.42

Accurate Mass

518.11

SMILES

O=C1C2=C(C(C3=C1C(O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)COC(CC(O)=O)=O)=CC(O)=C3)=O)C=C(C=C2O)C

InChI

InChI=1S/C24H22O13/c1-8-2-10-17(12(26)3-8)21(32)18-11(19(10)30)4-9(25)5-13(18)36-24-23(34)22(33)20(31)14(37-24)7-35-16(29)6-15(27)28/h2-5,14,20,22-26,31,33-34H,6-7H2,1H3,(H,27,28)/t14-,20-,22+,23-,24-/m1/s1

IUPAC

3-(((2R,3S,4S,5R,6S)-6-((3,8-dihydroxy-6-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methoxy)-3-oxopropanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat