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Chemical structure of β-D-Glucopyranosyl abscisate

GC62080

β-D-Glucopyranosyl abscisate

Also known as [(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

β-D-Glucopyranosyl abscisate (ABA-GE) is a hydrolyzable abscisic acid (ABA) conjugate that accumulates in the vacuole and presumably also in the endoplasmic reticulum

ChemicalCAS21414-42-6MW426.46FormulaC21H30O9
CAS number
21414-42-6
Molecular weight
426.46
Formula
C21H30O9
Solubility
DMSO ： 50 mg/mL (117·24 mM; Need ultrasonic)
InChIKey
HLVPIMVSSMJFPS-VTEUUMMASA-N
Catalogue number
GC62080
Brand
GLPBIO
Computed properties PubChem CID 46173811 · XLogP -0.2 · TPSA 154 Ų · H-bond donors 5
XLogP
-0.2
TPSA
154 Ų
H-bond donors
5
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
30

SMILES CC1=CC(=O)CC([C@]1(/C=C/C(=C\C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)/C)O)(C)C

Computed descriptors from PubChem (CID 46173811), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
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