Analyte Name

Steviol-O-acetate Acyl Glucuronide 2,3,4-Triacetate

Molecular Formula

C34 H46 O13

Molecular Weight

662.721

Accurate Mass

662.294

SMILES

CC(=O)O[C@H]1[C@H](OC(=O)[C@]2(C)CCC[C@@]3(C)[C@@H]4CC[C@@]5(C[C@@]4(CC[C@H]23)CC5=C)OC(=O)C)O[C@@H]([C@@H](OC(=O)C)C1OC(=O)C)C(=O)O

InChI

InChI=1S/C34H46O13/c1-17-15-33-13-9-22-31(6,23(33)10-14-34(17,16-33)47-21(5)38)11-8-12-32(22,7)30(41)46-29-27(44-20(4)37)25(43-19(3)36)24(42-18(2)35)26(45-29)28(39)40/h22-27,29H,1,8-16H2,2-7H3,(H,39,40)/t22-,23-,24-,25?,26-,27+,29-,31+,32+,33+,34-/m0/s1

IUPAC

(2S,3S,5R,6S)-3,4,5-triacetyloxy-6-[(1R,4S,5R,9S,10R,13S)-13-acetyloxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carbonyl]oxyoxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat