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Product Overview

Product Code

TRC-A110125

CAS Number

21414-42-6

Product Format

Neat

Molecular Formula

C21H30O9

Molecular Weight

426.46

Product Categories

TRC

Product Type

Impurity

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

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

CAS Number

21414-42-6

Molecular Formula

C21H30O9

Molecular Weight

426.46

Accurate Mass

426.189

SMILES

C\C(=C\C(=O)O[C@H]1OC(CO)[C@@H](O)[C@H](O)[C@@H]1O)\C=C\[C@@]2(O)C(=CC(=O)CC2(C)C)C

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

IUPAC

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoate

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)

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