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. Author manuscript; available in PMC: 2010 Jan 28.
Published in final edited form as: J Am Chem Soc. 2009 Jan 28;131(3):1067–1076. doi: 10.1021/ja806478b

Table 2.

1H, 13C NMR assignment for CGenQ·(H2O)2 (structure in Scheme 3).

Position 1H a 13C b 1H-13C c
Chemical shift (ppm) Coupling Constant (Hz) Chemical shift (ppm) 13C Chemical shift (ppm) and corresponding position
2 5.46 (s) - 91.6 92.9 (3)
6 5.97 (d) 1.8 95.9 90.1 (8), 101.9 (10), 157.6 (5/7), 167.9 (9)
8 6.18 (d) 1.8 90.1 95.9 (6), 101.9 (10), 167.9 (9), 174.5 (4)
2′ 7.06 (d) 2.1 112.5 92.9 (3), 116.3 (6′), 144.4 (4′)
5′ 6.78 (d) 8.5 114.9 127.3 (1′), 144.5 (3′)
6′ 6.89 (dd) 8.5, 2.1 116.3 112.5 (2′), 144.4 (4′)
a

1H peak splitting (s, singlet; d, doublet; dd: doublet of doublet).

b

Determined by gradient Heteronuclear Multiple Quantum Coherence (gHMQC).

c

Determined by gradient Heteronuclear Multiple Bond Coherence (gHMBC).