Products 403517-96-4

CAS 403517-96-4 is the registry number for Hylocerenin. Offered by: Biosynth. Available pack sizes: 1mg.

Hylocerenin
Biosynth
  • size: 1mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

(2S)-4-[(E)-2-[(2S)-2-carboxy-5-[(2S,3R,4S,5S,6R)-6-[(4-carboxy-3-hydroxy-3-methylbutanoyl)oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-hydroxy-2,3-dihydroindol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid (CAS 403517-96-4) is a chemical compound with the molecular formula C30H34N2O17 and a molecular weight of 694.6 g/mol. IUPAC name: (2S)-4-[(E)-2-[(2S)-2-carboxy-5-[(2S,3R,4S,5S,6R)-6-[(4-carboxy-3-hydroxy-3-methylbutanoyl)oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-hydroxy-2,3-dihydroindol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid. InChIKey: PAVWXODKPIGBQM-GIVIPSSVSA-N.

Identity
Molecular formulaC30H34N2O17
Molecular weight694.6 g/mol
IUPAC name(2S)-4-[(E)-2-[(2S)-2-carboxy-5-[(2S,3R,4S,5S,6R)-6-[(4-carboxy-3-hydroxy-3-methylbutanoyl)oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-hydroxy-2,3-dihydroindol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid
InChIKeyPAVWXODKPIGBQM-GIVIPSSVSA-N
SMILESCC(CC(=O)O)(CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(C=C3C(=C2)C[C@H](N3/C=C/C4=CC(=N[C@@H](C4)C(=O)O)C(=O)O)C(=O)O)O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: Hylocerenin, 3-Hydroxy-3-methylglutarylbetanin
Isomers (same molecular formula)
prop-2-enyl (2S,3S,4S,5R,6S)-6-[4-(methylcarbamoyloxymethyl)-2-nitrophenoxy]-3,4,5-tris(prop-2-enoxycarbonyloxy)oxane-2-carboxylate C30H34N2O17