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. 2022 Aug 4;70(32):9834–9844. doi: 10.1021/acs.jafc.2c02502

Table 1. 1H and 13C NMR Data of Truncatenolide (1)a and Its Esters (5 and 6)b.

1
5 6
no. δCc δH (J in Hz) HMBC δH (J in Hz) δH (J in Hz)
2 172.7 s   H2C-3, H2C-4, H-10    
3 37.3 t 2.42 (1H) md H2C-4 2.43 (1H) md 2.45 (1H) md
2.24 (1H) md 2.25 (1H) md 2.26 (1H) md
4 30.2 t 2.42 (1H) md H-5, H-6, H2C-3 2.43 (1H) md 2.45 (1H) md
2.24 (1H) md 2.25 (1H) md 2.26 (1H) md
5 130.9 d 5.64 (1H) m H2C-3, H2C-4 5.72 (1H) m 5.84 (1H) m
6 135.0 d 5.31 (1H) dd (15.4, 8.8) H2C-4, H2C-8 5.29 (1H) dd (15.4, 8.8) 5.43 (1H) md
7 74.9 d 4.11 td (8.8, 6.6) H2C-8, H2C-9, H-5 5.17 td (8.8, 6.6) 5.43 (1H) md
8 37.3 t 1.96 (1H) m H-10, H2C-9 1.95 (1H) m 2.02 (1H) m
1.61 (1H) md 1.56 (1H) m 1.58 (1H) m
9 31.7 t 1.76 (1H) dd (14.3, 7.7) CH3 1.79 (1H) m 1.90 (1H) m
1.61 (1H) md 1.61 (1H) m 1.70 (1H) m
10 72.8 d 4.89 (1H) br quint (6.5) H2C-8, H2C-9, CH3 4.89 (1H) br quint (6.5) 4.95 (1H) br quint (6.5)
CH3 22.2 q 1.17 (3H) d (6.5) H-9A 1.18 (3H) d (6.5) 1.20 (3H) d (6.5)
OAc       2.01 (3H) s  
2′–6′         7.86 (2H) d (8.3)
3′–5′         7.56 (2H) d (8.3)
a

2D 1H, 1H (COSY), and 13C, 1H (HSQC) NMR experiments confirmed the correlations of all of the protons and the corresponding carbons.

b

Coupling constants (J) are given in parentheses.

c

Multiplicities were assigned to the DEPT spectrum.

d

These two signals are in part overlapped.