Isosteviol Acyl-beta-D-glucuronide Sodium Salt

Analyte Name

Isosteviol Acyl-beta-D-glucuronide Sodium Salt

Molecular Formula

C26 H37 Na O9

Molecular Weight

516.556

Accurate Mass

516.234

SMILES

CC12CC[C@@H]3[C@@](CC[C@H]4[C@@]3(C)CCC[C@@]4(C)C(=O)O[C@@H]5O[C@@H]([C@@H](O)C(O)C5O)C(=O)O[Na])(CC1=O)C2

InChI

InChI=1S/C26H38O9.Na/c1-23-9-5-14-24(2)7-4-8-25(3,13(24)6-10-26(14,12-23)11-15(23)27)22(33)35-21-18(30)16(28)17(29)19(34-21)20(31)32;/h13-14,16-19,21,28-30H,4-12H2,1-3H3,(H,31,32);/q;+1/p-1/t13-,14-,16?,17-,18?,19-,21-,23?,24+,25+,26-;/m0./s1

IUPAC

[(2S,3S,6S)-3,4,5-trihydroxy-6-[(1R,4S,5R,9S,10R)-5,9,13-trimethyl-14-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carbonyl]oxyoxane-2-carbonyl]oxysodium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat