(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-(2-oxo-1,1-diphenyl-2-(((1R,3r,5S)-spiro[bicyclo[3.2.1]octane-8,1'-pyrrolidin]-3-yl-8-ium)oxy)ethoxy)tetrahydro-2H-pyran-2-carboxylate

Analyte Name

(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-(2-oxo-1,1-diphenyl-2-(((1R,3r,5S)-spiro[bicyclo[3.2.1]octane-8,1'-pyrrolidin]-3-yl-8-ium)oxy)ethoxy)tetrahydro-2H-pyran-2-carboxylate

Molecular Formula

C31 H37 N O9

Molecular Weight

567.627

Accurate Mass

567.247

SMILES

O[C@@H]1[C@@H](O)C(OC(C(=O)O[C@H]2C[C@H]3CC[C@@H](C2)[N+]34CCCC4)(c5ccccc5)c6ccccc6)O[C@@H]([C@H]1O)C(=O)[O-]

InChI

InChI=1S/C31H37NO9/c33-24-25(34)27(28(36)37)40-29(26(24)35)41-31(19-9-3-1-4-10-19,20-11-5-2-6-12-20)30(38)39-23-17-21-13-14-22(18-23)32(21)15-7-8-16-32/h1-6,9-12,21-27,29,33-35H,7-8,13-18H2/t21-,22+,23+,24-,25-,26+,27-,29?/m0/s1

IUPAC

(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[2-oxo-1,1-diphenyl-2-[(1S,5R)-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-yl]oxyethoxy]oxane-2-carboxylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat