Table 2.

¹³C and ¹H NMR chemical shifts, HMBC, and ROESY correlations of the aglycone moiety of chitonoidoside A (1) *.

Position	δC mult. a	δH mult. (J in Hz) b	HMBC	ROESY
1	36.0 CH2	1.74 m β		H-11, H-19
		1.48 m α		H-3, H-11
2	27.0 CH2	2.33 brdd (13.5) α
		2.00 brd (13.5) β		H-19, H-30
3	88.6 CH	3.30 dd (3.7; 11.6)	C: 4, 30, 31, C:1 Xyl1	H-5, H-31, H1-Xyl1
4	39.8 C
5	52.7 CH	0.94 brd (12.6)	C: 6, 10, 30	H-1, H-3, H-7, H-31
6	21.0 CH2	1.71 m α		H-31
		1.47 m β		H-8, H-19, H-30
7	28.8 CH2	1.59 m β		H-15
		1.20 m α		H-5, H-32
8	40.9 CH	2.39 m	C: 9	H-6, H-18, H-19
9	151.0 C
10	39.5 C
11	114.7 CH	5.38 d (6.1)	C: 8, 10, 12, 13	H-1
12	33.8 CH2	2.37 m α	C: 9, 11, 13, 18	H-32
		2.27 dd (5.4; 16.9) β	C: 9, 11, 13, 14, 18	H-18, H-21
13	56.3 C
14	40.3 C
15	50.4 CH2	2.50 d (15.6)	C: 14, 16, 32	H-18
		2.17 d (15.6)	C: 13, 16, 17, 32	H-7, H-32
16	215.9 C
17	63.9 CH	2.38 s	C: 12, 16, 18, 20, 21	H-21, H-22, H-32
18	73.8 CH2	4.08 d (9.8)	C: 12, 14, 20	H-8, H-15, H-22 (weak)
		3.71 d (9.8)	C: 12, 14, 17, 20	H-12, H-19
19	22.8 CH3	1.09 s	C: 1, 5, 9, 10	H-1, H-2, H-6, H-8, H-18
20	86.2 C
21	26.1 CH3	1.32 s	C: 17, 20, 22	H-12, H-17, H-18, H-22
22	37.9 CH2	1.83 m		H-21
		1.67 m		H-21
23	23.2 CH2	1.82 m
		1.68 m
24	38.3 CH2	2.07 m	C: 22, 23, 25	H-26
25	145.9 C
26	110.0 CH2	4.83 brs	C: 24, 27	H-21, H-24
		4.81 brs	C: 24, 27	H-27
27	22.2 CH3	1.74 s	C: 24, 25, 26	H-26
30	16.5 CH3	1.15 s	C: 3, 4, 5, 31	H-2, H-6, H-31
31	27.9 CH3	1.34 s	C: 3, 4, 5, 30	H-3, H-5, H-6, H-30, H-1 Xyl1
32	21.4 CH3	0.85 s	C: 8, 13, 14, 15	H-7, H-15, H-17

^a Recorded at 176.03 MHz in C₅D₅N/D₂O (4/1). ^b Recorded at 700.00 MHz in C₅D₅N/D₂O (4/1). * The NMR data for aglycone parts of chitonoidoside A (1), B (3) and E (6) are similar but with minor differences. The original spectra are presented in Figures S1–S6, S15–S20, and S40–S45, correspondingly, and the assigned signals for the aglycone parts of 3 and 6 are provided as Tables S2 and S5.