Isobetanin

cas: 15121-53-6 — see every product listed under this CAS number, including other names

Isobetanin (CAS 15121-53-6) is a chemical reagent available from Chemat. Available pack sizes: 1mg. Offered by: Biosynth.

brandBiosynth
catalog numberQAA12153-1mg
cas15121-53-6
size1mg
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properties

categoryLife Sciences
purityNo data
delivery time3-4 Weeks
Structural formula: {0} (CAS {1})

(2R)-4-[(E)-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 (CAS 15121-53-6) is a chemical compound with the molecular formula C24H26N2O13 and a molecular weight of 550.5 g/mol. IUPAC name: (2R)-4-[(E)-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. InChIKey: CTMLKIKAUFEMLE-DLTLVQJYSA-N.

Identity
Molecular formulaC24H26N2O13
Molecular weight550.5 g/mol
IUPAC name(2R)-4-[(E)-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
InChIKeyCTMLKIKAUFEMLE-DLTLVQJYSA-N
SMILESC1[C@@H](N=C(C=C1/C=C/N2[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 by PubChem (NCBI)

Synonyms: (15R)-Betanin, Isobetanidin 5-beta-D-glucopyranoside, ISOBETANIN
Related forms of this compound
(2S)-4-[(E)-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 C24H26N2O13
Isomers (same molecular formula)
(2S)-4-[(E)-2-[(2S)-2-carboxy-5-hydroxy-6-[(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 C24H26N2O13