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Chemical structure of Betanin

GC31409

Betanin

Also known as (2S)-4-[2-[(2S)-2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid

Betanin is a red glycoside extracted from beets· It is a water-soluble nitrogen-containing pigment that can be used as a food colorant

ChemicalCAS7659-95-2MW550.47FormulaC24H26N2O13
CAS number
7659-95-2
Molecular weight
550.47
Formula
C24H26N2O13
Solubility
Water ： 150 mg/mL (272·49 mM)
InChIKey
CTMLKIKAUFEMLE-FMOSSLLZSA-N
Catalogue number
GC31409
Brand
GLPBIO
Computed properties PubChem CID 91559 · XLogP -1.3 · TPSA 247 Ų · H-bond donors 8
XLogP
-1.3
TPSA
247 Ų
H-bond donors
8
H-bond acceptors
15
Rotatable bonds
8
Heavy atoms
39

SMILES C1[C@H](N=C(C=C1C=CN2[C@@H](CC3=CC(=C(C=C32)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)O)C(=O)O)C(=O)O

Computed descriptors from PubChem (CID 91559), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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