Products 19949-47-4

CAS 19949-47-4 appears in our catalog under these names: Neohesperidose heptaacetate, 95%, Neohesperidoseheptaacetate, 97%, Neohesperidose heptaacetate. Offered by: Combi-blocks, AmBeed, Biosynth. Available pack sizes: 100mg, 1g, 250mg, 500mg.

Structural formula: {0} (CAS {1})

[(2R,3R,4S,5R,6S)-3,4,6-triacetyloxy-5-[(2S,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl acetate (CAS 19949-47-4) is a chemical compound with the molecular formula C26H36O17 and a molecular weight of 620.6 g/mol. IUPAC name: [(2R,3R,4S,5R,6S)-3,4,6-triacetyloxy-5-[(2S,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl acetate. InChIKey: PXSGTFALWGIXGH-VFBVLVIPSA-N.

Identity
Molecular formulaC26H36O17
Molecular weight620.6 g/mol
IUPAC name[(2R,3R,4S,5R,6S)-3,4,6-triacetyloxy-5-[(2S,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl acetate
InChIKeyPXSGTFALWGIXGH-VFBVLVIPSA-N
SMILESC[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Computed by PubChem (NCBI)