Analyte Name

Rhein Methylate 3-(2,3,4,6-Tetraacetate Beta-D-Glucopyranose)

Molecular Formula

C30H28O15

Molecular Weight

628.53

Accurate Mass

628.14

SMILES

OC1=CC=CC2=C1C(C3=C(O[C@@H]4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)C=C(C(OC)=O)C=C3C2=O)=O

InChI

InChI=1S/C30H28O15/c1-12(31)40-11-21-26(41-13(2)32)27(42-14(3)33)28(43-15(4)34)30(45-21)44-20-10-16(29(38)39-5)9-18-23(20)25(37)22-17(24(18)36)7-6-8-19(22)35/h6-10,21,26-28,30,35H,11H2,1-5H3/t21-,26-,27+,28-,30-/m1/s1

IUPAC

(2R,3R,4S,5R,6S)-2-(acetoxymethyl)-6-((8-hydroxy-3-(methoxycarbonyl)-9,10-dioxo-9,10-dihydroanthracen-1-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat