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. Author manuscript; available in PMC: 2010 Apr 23.
Published in final edited form as: J Med Chem. 2009 Apr 23;52(8):2317–2327. doi: 10.1021/jm801110j

Table 3.

NMR spectral data for 9 and 10 in CDCl3.

compound 9 compound 10
Position δCa δHb(J in Hz) δCa δHb(J in Hz)
2 170.1 170.1
3 53.6 5.29 dd (8.0, 7.5) 53.5 5.21 dd (7.5, 7.0)
4 71.0 5.64 dq (7.5, 7.0) 70.7 5.58 dq (7.5, 7.0)
6 172.0 173.0
7 52.0 3.06 dt (10.0, 10.0) 54.0 2.69 ddd (10.5, 10.0, 3.5)
8 76.1 5.45 t (10.0) 77.3 3.73 dt (10.0, 10.0)
9 74.9 5.12 m 76.9 4.87 dq (10.0, 10.0)
8-OH 1.62 br s
4-Me 14.8 1.18 d (6.5) 14.7 1.15 d (7.0)
9-Me 18.0 1.37 d (6.5) 18.4 1.47 d (6.0)
1′ 112.5 112.5
2′ 150.6 150.6
3′ 127.4 127.3
4′ 124.7 8.52 d (8.0) 124.8 8.51d (8.0
5′ 119.0 6.89 t (8.0) 119.0 6.88 t (8.0)
6′ 120.0 7.19 t (8.0) 120.1 7.18 d (8.0)
1′-CONH 169.4 169.3
1′-CONH 7.01 br d (8.0) 7.01 d (7.5)
2′-OH 12.6 br s 12.6 s
3′-NHCHO 7.88 br s 7.87 br s
3′-NHCHO 158.9 8.48 s 159.0 8.47 s
1″a 34.7 3.06 dd (20.0, 10.0) 35.1 3.19 dd (13.5, 3.5)
1″b 2.78 dd (20.0, 10.0) 2.98 dd (13.5, 10.5)
2″ 137.8 138.4
3″ 128.7 7.09 d (7.5) 126.6 7.17 d (7.5)
4″ 128.5 7.19 t (7.5) 128.6 7.26 t (7.5)
5″ 126.6 7.13 t (7.5) 128.8 7.16 t (7.5)
6″ 128.5 7.19 t (7.5) 128.6 7.26 t (7.5)
7″ 128.7 7.09 d (7.5) 126.6 7.17 d (7.5)
1‴ 165.3
2‴ 129.0
3‴ 129.9 8.05 d (8.0)
4‴ 128.7 7.48 t (8.0)
5‴ 133.9 7.62 t (8.0)
6‴ 128.7 7.48 t (8.0)
7‴ 129.9 8.05 d (8.0)
a

Assignment by 13C, HSQC, and HMBC NMR methods at 125 MHz.

b

Assignment by 1H, gCOSY, gHSQC, and gHMBC NMR methods at 500 MHz.