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. 2024 Oct 31;29(21):5175. doi: 10.3390/molecules29215175

Table 2.

1H and 13C NMR (CDCl3, 300 MHz and 75 MHz), COSY, HMBC and NOESY assignment for compound 2.

Position δC, Type δH, (J in Hz) COSY HMBC NOESY
1
2 171.9, CO
3 113.0, CH 5.68, s C-2, 3a, 4, 7a
3a 181.3, C
4 35.1, C
49.7 CH2 2.02, ddd (12.8, 4.3, 2.3) H-5β, C-3a, 4, 6, 7
β 1.31, dd (12.2, 12.2) C-4, 6, 7a, 10 H-5α
6 64.8, CH 4.10, m H-5α, 5β, 7α, 7β, H-5α, 7α, 7β, 8, 10
47.8 CH2 2.51, ddd (11.8, 4.0, 2.3) H-6, 7β C-3a, 5, 6, 7a
β 1.48, dd (11.8, 11.8) C-5, 6, 7a, 8
7a 86.8 C
8 25.5, CH3 1.56, s H-7β C-3a, 7, 7a H-6
9 29.9, CH3 1.29, s C-3a, 4, 5, 10
10 25.0, CH3 1.24, s C-3a, 4, 5, 9