. Author manuscript; available in PMC: 2010 Dec 1.

Published in final edited form as: Phytochemistry. 2009 Oct 6;70(17-18):2058–2063. doi: 10.1016/j.phytochem.2009.09.010

Table 1.

¹H and ¹³C NMR assignments for tiglicamide A (1) (600 MHz, DMF-d₇)

Unit	C/H no.	δ_H (J in Hz)	δ_C, mult.	HMBC^a
Htyr	1		171.4, qC
	2	4.61, br m	50.6, CH	1, 3
	3	2.12, m; 1.82, m	33.9, CH₂	2, 3
	4	2.47, m (2H)	30.8, CH₂	2, 3, 5, 6/10
	5		132.2, qC
	6/10	7.04, d (8.0)	129.8, CH	4
	7/9	6.71, d (8.0)	115.1, CH	4, 5
	8		156.3, qC
	OH	9.31, s		7/9
	NH	7.72, d (9.4)		1 (Glu)
Glu	1		171.2, qC
	2	4.55, br m	52.9, CH
	3	2.50, m; 2.19, m	26.7, CH₂	2, 4, 5
	4	2.56, m; 2.47, m	30.7, CH₂	2, 3, 5
	5		174.9, qC
	OH	not observed
	NH	7.55, d (8.6)		1 (Abu)
Abu	1		163.8, qC
	2		129.5, qC
	3	6.57, br q (6.8)	128.7, CH	1, 4
	4	1.78, d (7.0)	12.4, CH₃	1, 2, 3
	NH	10.21, s		1 (Ala)
Ala	1		175.5, qC
	2	4.36, br q (6.7)	50.3, CH	3
	3	1.40, d (6.7)	16.4, CH₃	1, 2
	NH	8.86, br s		1 (Thr)
Thr	1		170.2, qC
	2	4.78, br m	55.5, CH	1
	3	5.39, br q	73.1, CH	1
	4	1.19, d (5.9)	15.9, CH₃	2, 3
	NH	7.89, d (8.2)		1 (Tyr)
Tyr	1		172.4, qC
	2	4.77, br m	55.4, CH	1, 1 (Val)
	3	3.08, dd (−13.2, 3.9)	37.8, CH₂	2, 4, 5/9
		2.84, dd (−13.2, 9.6)
	4		128.2, qC
	5/9	7.12, d (7.8)	130.5, CH	3, 6/8, 7
	6/8	6.75, d (7.8)	115.1, CH	5/9, 7
	7		156.7, qC
	OH	9.35, s		6/8, 7
	NH	8.08, br d (7.5)
Val	1		171.8, qC
	2	4.30, br dd	58.8, CH	1, 3, 4, 5
	3	2.04, m	31.3, CH	1, 2, 4, 5
	4	0.76, d (6.3)	19.3, CH₃	2, 3, 5
	5	0.73, d (6.3)	17.9, CH₃	2, 3, 4
	NH	7.29, d (8.8)		1 (Tig)
Tig	1		169.1, qC
	2		132.4, qC
	3	6.44, br q (6.3)	130.1, CH	1, 4
	4	1.73, br d (6.3)	13.4, CH₃	2, 3
	5	1.81, br s	12.2, CH₃	1, 2, 3

Protons showing long-range correlation with indicated carbon.