Table 1.

¹H and ¹³C Spectral Assignments for Kitastatin 1 (3, recorded in CD₂Cl₂, J in Hz)^a

Positions	δ 13C	δ 1H	1H, 1H-COSY	HMBC (C to H)
1-CO	168.0			H-2, H-13
2-CH	55.8	5.25 (dd, 8.5/2.5)	NH-2, H-3	H-14
3-CH	72.9	6.02 (dq, 7.0/2.5)	H-2, H-14	H-14
4-CO	172.3			H-3
5-CH	72.6	4.72 (m)	H-15a, H-15b
6-CO	173.7			H-19, H-20
7-C	53.7			H-19, H-20
8-CO	208.5			H-9, H-19, H-20
9-CH	56.0	4.84 (dd, 11.0/5.5)	NH-9, H-21	H-21
10-CO	170.4			H-9, H-11
11-CH	81.4	4.74 (m)	H-25	H-26
12-CO	170.2			H-11, H-13, H-29
13-CH	71.6	5.80 (q, 6.5)	H-29	H-29
14-CH3	16.6	1.36 (d, 6.5)	H-3
15-CH2	39.8	1.52 (m)	H-5, H-15b	H-16, H-17
		1.72 (m)	H-5, H-15a
16-CH	24.9	1.74 (m)	H-18
17-CH3	21.6	0.89 (d, 6.5)		H-18
18-CH3	22.9	0.94 (d, 7.0)	H-16	H-17
19-CH3	20.0	1.10 (s)		H-20
20-CH3	24.3	1.27 (s)		H-19
21-CH2	43.3	1.80 (2H, t, 8.5)	H-9, H-22	H-9, H-23, H-24
22-CH	25.0	1.64 (m)	H-21, H-23, H24	H-23, H-24
23-CH3	21.1	0.92 (d, 7.0)	H-22	H-21
24-CH3	23.6	0.93 (d, 7.0)	H-22	H-21
25-CH	36.9	2.11 (m)	H-11, H-26, H27	H-11, H-27
26-CH3	14.7	0.98 (d, 7.0)	H-25	H-27a
27-CH2	25.7	1.37 (m)	H-25, H-27b, H-28	H-27
		1.77 (m)	H-27a, H-28
28-CH3	10.6	0.97 (t, 7.5)	H-27a, H-27b	H-27a
29-CH3	18.3	1.54 (d, 7.0)	H-13	H-13
1′-C	113.3			H-5′
2′-C	150.9			H-4′, H-6′
3′-C	137.0			H-5′
4′-CH	118.5	6.89 (d, 6.5)	H-5′	H-6′
5′-CH	119.3	6.78 (t, 7.5)	H-4′, H-6′
6′-CH	114.6	7.01 (d, 8.0)	H-5′	H-4′
7′-CO	171.3			NH-2, H-6′
NH-2		7.08 (d, 8.5)	H-2
NH-9		7.53 (d, 9.5)	H-9
NH-3′		4.00 (s, br)

^a500 MHz for ¹H NMR, 100 MHz for ¹³C NMR.