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. Author manuscript; available in PMC: 2013 Aug 28.
Published in final edited form as: Medchemcomm. 2012 Feb 22;3(8):976–981. doi: 10.1039/C2MD20024D

Table 1.

NMR spectroscopic data of thailandepsin D (4) in CDCl3

position δC, type δH (J in Hz) HMBC
Nleu 1 170.4, C═O 2, 3, NH, NH′
2 56.8, CH 4.14, m 4, NH
3 30.5, CH2 1.89, m 2
1.74, m
4 28.4, CH2 1.39, m 5, 6
5 22.3, CH2 1.40, m 3, 6
6 13.9, CH3 0.93, m
NH 6.51, d (3.1)
Cys 1′ 169.2, C═O 2′, 4″, NH″
2′ 55.2, CH 4.85, m (9.0, 3.5)
3′ 40.1, CH2 3.30, m
3.14, m
NH′ 6.87, d (9.0)
Ahhxa 1″ 171.7, C═O
2″ 39.6, CH2 2.71, m
3″ 69.1, CH 4.52, m 2″, 4″
4″ 63.2, CH 2.85, m 2″, 5″, 6″, 7″
5″ 29.8, CH 2.35, m 3″, 4″, 6″, 7″
6″ 20.6, CH3 1.02, d (6.8) 4″, 5″
7″ 19.8, CH3 0.92, s 4″, 5″
NH″ 7.43, d (7.2)
OH″
acyl 1‴ 171.0, C═O 2, 2‴, NH
2‴ 40.8, CH2 3.31, m
3‴ 70.9, CH 5.52, br s (15.7) 2‴, 4‴
4‴ 129.1, CH 5.76, d (15.7) 2‴, 6‴
5‴ 133.1, CH 6.32, m (12.3)
6‴ 33.1, CH2 2.72, m 4‴
2.49, m
7‴ 40.8, CH2 3.30, m
2.73, m
a

Ahhx: 4-amino-3-hydroxy-5-methylhexanoic acid.