Analyte Name

(S)-cis,trans-Abscisic Acid Glucosyl Ester-D6

Molecular Formula

C21 D6 H24 O9

Molecular Weight

432.495

Accurate Mass

432.227

SMILES

[2H]C1=C(C([2H])([2H])[2H])[C@](O)(\C=C\C(=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)\C)C(C)(C)C([2H])([2H])C1=O

InChI

InChI=1S/C21H30O9/c1-11(5-6-21(28)12(2)8-13(23)9-20(21,3)4)7-15(24)30-19-18(27)17(26)16(25)14(10-22)29-19/h5-8,14,16-19,22,25-28H,9-10H2,1-4H3/b6-5+,11-7-/t14-,16-,17+,18-,19+,21-/m1/s1/i2D3,8D,9D2

IUPAC

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2Z,4E)-3-methyl-5-[(1S)-3,5,5-trideuterio-1-hydroxy-6,6-dimethyl-4-oxo-2-(trideuteriomethyl)cyclohex-2-en-1-yl]penta-2,4-dienoate

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat