Table 1.

NMR Spectroscopic Data (600 MHz, CD₃OD) for Aphrocallistin (1)

Position	Aphrocallistin major rotamer			COSY	HMBCa	NOESY	Minor rotamer
	δC mult	δN	δH (J in Hz)				δC	δH (J in Hz)
1		111
2	50.1, CH2		3.50, t (7.6)	3	3, 4,14,15	3, 5, 9, 14	53.0	3.55, t (6.9)
3	33.0, CH2		2.74, t (7.6)	2	1, 2, 4, 5, 9	2, 5, 9	33.9	2.82, t (6.9)
4	140.0, qC						139.4
5 and 9	134.4, CH		7.45, s		3, 6, 7, 5 or 9	2, 3	134.6	7.47, s
6 and 8	118.9, qC						119.1
7	152.8, qC						153.1
10	71.9, CH2		4.11, m	11	7, 11, 12	11	71.9	4.11, m
11	30.5, CH2		2.27, m	10, 12	10, 12, 13	10, 12	30.5	2.27, m
12	40.4, CH2		4.04, m	11	10, 11, 6′	11	40.4	4.04, m
13		106
1′		227
2′	149.7, CH		8.64, s		1′, 3′, 4′, 6′, 17	17	149.7	8.64, s
3′		149
4′	149.2 br, qC						149.2
5′	112.6 br, qC						112.6
6′	153.5, qC						153.5
7′b
8′	145.6 br, CH		8.42, s		4′, 5′		145.6	8.42, s
9′b
14	36.9, CH3		2.98, s		1, 2, 15	3, 16	33.8	2.88, s
15	173.4, qC						173.3
16	21.6 CH3		2.02, s		1, 15	14	20.9	1.84, s
17	36.8, CH3		4.06, s		2′, 3′, 4′	2′	36.8	4.06, s

^aHMBC correlations optimized for 8Hz are from proton(s) stated to the listed carbon or nitrogen.

^bnot observed