(2R,3R,4R,5S)-6-((1-(4-((S)-2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)benzyl)piperidine-4-carbonyl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic Acid

Analyte Name

(2R,3R,4R,5S)-6-((1-(4-((S)-2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)benzyl)piperidine-4-carbonyl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic Acid

Molecular Formula

C27 H31 N O10

Molecular Weight

529.536

Accurate Mass

529.195

SMILES

O[C@H]1[C@H](O)C(OC(=O)C2CCN(Cc3ccc(cc3)[C@H]4COc5ccccc5O4)CC2)O[C@H]([C@@H]1O)C(=O)O

InChI

InChI=1S/C27H31NO10/c29-21-22(30)24(25(32)33)37-27(23(21)31)38-26(34)17-9-11-28(12-10-17)13-15-5-7-16(8-6-15)20-14-35-18-3-1-2-4-19(18)36-20/h1-8,17,20-24,27,29-31H,9-14H2,(H,32,33)/t20-,21-,22-,23+,24-,27?/m1/s1

IUPAC

(2R,3R,4R,5S)-6-[1-[[4-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]phenyl]methyl]piperidine-4-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat