Betanin

BETANIN (betanidin-5-O-glucoside)

1H-NMR, betanin (D2O/TMSP-d4, 600 MHz): δ (ppm) 8.5 (d, 1H, 3J = 12.56, H-11); 7.17 (s, 1H, H-4); 7.14 (s, 1H, H-7); 6.16 (d, 1H, J3 = 12.56 Hz, H-12); 5.4 (d, 1H, 3J = 3.81 Hz, H-2); 5.38 (s, 1H, H-18); 5.07 (d, 1H, 3J = 7.28, H-1’); 4.66 (t, 1H, 3J = 16.83 Hz, H-15); 4.21 (dd, 1H, superposition, H-6’A); 4.09 (dd, 1H, superposition, H-6’B); 3.70 (dd, 1H, superposition, H-3A); 3.63 (superposition, H-2’); 3.43 (dd, 1H, superposition, H-3B); 3.4 – 3.9 (superposition, H-3’, H-4’, H-5’); 3.20 (dd, 1H, 3J = 6.53, 2J = 16.83, H-14A).

HRMS calc. C24H27N2O13+ (m/z) [M + H]+ = 551.1499, found: 551,1507, diff. = –1,45 ppm.

LC-ESI(+)-MS: tR = 6.1 ± 0.2 min (Bn); 6.4 ± 0.2 min (iBn) (condição A, item 0), (m/z) [M + H]+ 551.1.

UV-Vis/Fl: λabsmax = 536 nm (water), λFlmax = 617 nm (water, λexc = 510 nm), ε536 nm = 6.5 × 104 L mol–1 cm–1 (água)*, 6.0 × 104 L mol–1 cm–1** .

*S. J. Schwartz, J. H. Von Elbe, Journal of Agricultural and Food Chemistry 1980, 28, 540-543;

**H. Wyler, U. Meuer, Helv. Chim. Acta 1979, 62, 1330-1339.

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