Products 17008-59-2

CAS 17008-59-2 is the registry number for Gomphrenin I. Offered by: TRC, Biosynth, MedChemExpress. Available pack sizes: 25mg, 1mg, 5mg, 10mg, 50mg, Get quote.

Gomphrenin I
TRC, Biosynth, MedChemExpress
  • size: 25mg, 1mg, 5mg, 10mg
  • Variants: 7
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Structural formula: {0} (CAS {1})

(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 (CAS 17008-59-2) is a chemical compound with the molecular formula C24H26N2O13 and a molecular weight of 550.5 g/mol. IUPAC name: (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. InChIKey: IKCBLEDGTPAJDE-FTNGGYTGSA-N.

Identity
Molecular formulaC24H26N2O13
Molecular weight550.5 g/mol
IUPAC name(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
InChIKeyIKCBLEDGTPAJDE-FTNGGYTGSA-N
SMILESC1[C@H](N=C(C=C1/C=C/N2[C@@H](CC3=CC(=C(C=C32)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C(=O)O)C(=O)O)C(=O)O

Computed by PubChem (NCBI)

Synonyms: Gomphrenin I, betanidin 6-O-beta-glucoside, Isogomphrenin I
Isomers (same molecular formula)
(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