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. Author manuscript; available in PMC: 2016 Mar 25.
Published in final edited form as: J Am Chem Soc. 2015 Mar 11;137(11):3933–3945. doi: 10.1021/jacs.5b00669

Table 3.

Chemical Shifts and 2D Correlations for 11b in D2O

graphic file with name nihms-748645-t0004.jpg
position δ C Ha/b δH (J in Hz) COSY TOCSY HMBCa NOESY
2 153.3
4 152.1
5 116.6
6 159.6
8 138.4 7.88, s 4, 5, 6, 1′ 1′, 2a′, 3′, 5a′, 5b′
1′ 84.5 6.25, t (6.8) 2a′, 2b′ 2a′, 2b′, 3′, 4′ 4, 8, 2′, 3′, 4′ 8, 2a′, 2b′, 4′
2′ 38.7 a 2.86, ddd (13.9, 6.9, 6.9) 1′, 2b′, 3′ 1′, 2b′, 3′, 4′ 1′, 3′, 4′ 1′, 2b′, 3′
b 2.47, ddd (14.0, 6.5, 4) 1′, 2a′, 3′ 1′, 2a′, 3′, 4′ 3′, 4′ 1′, 2a′, 3′, 4′
3′ 71.7 4.61, dt (6.5, 4) 2a′, 2b′, 4′ 1′, 2a′, 2b′, 4′, 5a′, 5b′ 1′, 5′ 8, 2a′, 2b′, 5a′, 5b′
4′ 87.4 4.06, dt (5.5, 4) 3′, 5a′, 5b′ 1′, 2a′, 2b′, 3′, 5a′, 5b′ 1′, 3′ 1′, 2b′
5′ 62.2 a 3.79, dd (12.5,4) 5b′ 3′, 4′, 5b′ 3′, 4′ 8, 3′
b 3.74, dd (12.5, 6.5) 5a′ 3′, 4′, 5a′ 3′, 4′ 8, 3′
1″ 38.5 3.49–3.44, m 2a″, 2b″ 2a″, 2b″, 3″, 4″ 2, 2″, 3″ 2a″, 2b″, 3″
2″ 32.0 a 2.00–1.91, m 1″, 2b″, 3 1″, 2b″, 3″, 4″ 1″, 3″, 4″ 1″, 2b″, 3″, 5b″
b 1.71–1.61, m 1″, 2a″, 3″ 1″, 2a″, 3″, 4″ 1″, 3″, 4″ 1″, 2a″, 3″, 5a″
3″ 70.1 3.71–3.67, m 2a″, 2b″ 1″, 2a″, 2b″, 4″, 5a″, 5b″ 1″, 2″, 4″ 1″, 4″
4″ 75.2 3.64–3.61, m 1″, 2a″, 2b″, 3″, 5a″, 5b″ 2″ 3″
5″ 63.1 a 3.73, dd (18.8, 8.8) 5a″ 3″, 4″, 5b″ 2b″
b 3.59, dd (19.3, 6.8) 5b″ 3″, 4″, 5a″ 3″, 4″ 2a″
a

HMBC correlations are from protons in the δH column to the listed carbon(s).