Rebaudioside C (13CD2)

Analyte Name

Rebaudioside C (13CD2)

Molecular Formula

13C C43 D2 H68 O22

Molecular Weight

954.018

Accurate Mass

953.452

SMILES

[2H][13C](=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O[C@@H]5OC(CO)[C@@H](O)C(O)C5O)[C@@H]2CC[C@@]1(C3)O[C@@H]6OC(CO)[C@@H](O)C(O[C@@H]7OC(CO)[C@@H](O)C(O)C7O)C6O[C@@H]8O[C@@H](C)[C@@H](O)[C@@H](O)C8O)[2H]

InChI

InChI=1S/C44H70O22/c1-17-12-43-10-6-22-41(3,8-5-9-42(22,4)40(58)65-38-33(57)30(54)26(50)20(14-46)61-38)23(43)7-11-44(17,16-43)66-39-35(64-36-31(55)28(52)24(48)18(2)59-36)34(27(51)21(15-47)62-39)63-37-32(56)29(53)25(49)19(13-45)60-37/h18-39,45-57H,1,5-16H2,2-4H3/t18-,19?,20?,21?,22-,23-,24+,25+,26+,27+,28+,29?,30?,31?,32?,33?,34?,35?,36-,37-,38-,39-,41+,42+,43+,44-/m0/s1/i1+1D2

IUPAC

[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9S,10R,13S)-14-(dideuterio(113C)methylidene)-13-[(2S,5R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

SIL Type

Deuterium, Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat