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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 2.

NMR spectroscopic data of thailandepsin E (5) in CDCl3

position δC, type δH (J in Hz) HMBC
Met 1 170.3, C═O 2, NH, NH′
2 57.3, CH 4.34, m 3, 4, NH
3 38.8, CH2 2.66, m 2
4 40.5, CH2 3.20, d (5.4) 2′, NH′
2.64, m
5 15.4, CH3 2.17, s 4
NH 7.80, br s
Cys 1′ 168.7, C═O 2′, NH″
2′ 55.2, CH 4.81, m 3′, NH′
3′ 39.4, CH2 3.32, m
3.20, m
NH′ 6.84, d (9.1)
Ahhxa 1″ 171.4, C═O 3″
2″ 27.9, CH2 2.24, m 3″, 4″
2.04, m
3″ 70.4, CH 4.34, m 2″, 4″, 5″, NH″
4″ 55.9, CH 3.06, m 2″, 3″, 5″, NH″
5″ 38.7, CH2 2.06, m 3″, 4″, 6″
1.52, m
6″ 25.1, CH 1.62, m 4″, 5″, 7″, 8″
7″ 21.2, CH3 0.91, d (1.5) 5″, 6″
8″ 23.4, CH3 0.89, d (1.7) 5″, 6″
NH″ 7.54, d (7.1)
OH″
acyl 1‴ 171.2, C═O 3.34, m 2‴, NH
2‴ 41.4, CH2 3.34, m 4‴
2.73, m
3‴ 70.7, CH 5.49, br s 2‴, 4‴
4‴ 129.4, CH 5.74, d (15.3) 2‴, 3‴
5‴ 132.9, CH 6.22, m 6‴, 7‴
6‴ 32.6, CH2 2.72, m 4‴
2.41, m
7‴ 41.0, CH2 3.32, m
2.74, m
a

Ah(6)hp: 4-amino-3-hydroxy-6-methylheptanoic acid.