Analyte Name

Ginsenoside Rg2-d6

Molecular Formula

C42 D6 H66 O13

Molecular Weight

791.05

Accurate Mass

790.535

SMILES

[2H]C([2H])([2H])C(=CCCC(C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4C(C[C@@]23C)O[C@@H]5OC(CO)[C@@H](O)C(O)[C@H]5O[C@@H]6O[C@@H](C)[C@@H](O)C(O)C6O)C([2H])([2H])[2H]

InChI

InChI=1S/C42H72O13/c1-20(2)11-10-14-42(9,51)22-12-16-40(7)28(22)23(44)17-26-39(6)15-13-27(45)38(4,5)35(39)24(18-41(26,40)8)53-37-34(32(49)30(47)25(19-43)54-37)55-36-33(50)31(48)29(46)21(3)52-36/h11,21-37,43-51H,10,12-19H2,1-9H3/t21-,22-,23+,24?,25?,26+,27-,28-,29+,30+,31?,32?,33?,34+,35-,36-,37+,39+,40+,41+,42?/m0/s1/i1D3,2D3

IUPAC

(2S,5S,6S)-2-[(2R,3R,5S)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[7,7,7-trideuterio-2-hydroxy-6-(trideuteriomethyl)hept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Unlabelled CAS Number

52286-74-5

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat