Table 1 1H-NMR data (δ ppm, J in parentheses in Hz) of compounds 1–4 in C6D6.

From: Decoding the anti-inflammatory properties of sesquiterpene coumarins from the active fractions of Ferula assa-foetida through integrated experimental and in silico analyses

 

1

2

3

3*

4*

4**

3

5.91 (d, 9.5)

5.91 (d, 9.5)

5.88 (d, 9.5)

6.21 (d, 9.5)

6.25 (d, 9.5)

6.35 (d, 9.5)

4

6.78 (d, 9.5)

6.95 overl

6.63 (d, 9.5)

7.85 (d, 9.5)

7.88 (d, 9.5)

7.72 (d, 9.5)

5

6.73 (d, 8.4)

6.95 overl

6.65 (d, 8.6)

7.49 (d, 8.6)

7.55(d, 8.5)

7.48 (d, 8.2)

6

6.60 (dd, 2.4, 8.4)

6.95 overl

6.56 (dd, 2.3, 8.6)

6.89 (dd, 1.8, 8.6)

6.96 overl

7.01 overl

8

6.62(d, 2.4)

6.95 overl

6.22(d, 1.8)

6.22(d, 1.8)

6.95 overl

7.02 overl

1′

4.21 (d, 6.5)

4.15 (d, 6.3)

1.12 overl

1.85 m

1.90 (dd, 4.6, 13.0), 1.99 m

1.82 m

2′

5.39 (t, 6.5)

5.40 (t, 6.5)

2.11 m, 2.17 m

2.12 m

2.35 (dd, 3.0, 12.5), 2.48 m

2.51 m

4′

1.95 m

1.94–2.16 m

–

–

2.64 m

2.63 m

5′

2.05 m

1.94–2.16 m

–

–

–

–

6′

5.09 (t, 6.9)

5.21 (t, 6.5)

1.70 m, 2.33 (bd, 18.6)

1.92 m 2.53 (bd, 13.5)

3.88 m

4.13 m

7′

–

–

0.97m, 1.30m,

1.28 m, 1.57 m

1.61 m, 1.99 m

1.82 m, 2.16 m

8′

1.62 s

1.94–2.16 m

1.46 m

1.28 m

1.99 m

1.96 m

9′

1.49 s

1.94–2.16 m

–

–

–

–

10′

1.48 s

5.17 (t, 6.5)

2.96 (dd, 4.5, 11.5)

3.03 (t, 8.0)

2.23 (bd, 9.7)

2.23 (bt, 7.3)

11′

 

–

3.42 (d, 8.3), 3.70 (d, 8.3)

3.75 (d, 8.5), 3.95 (d, 8.5)

3.88 m

3.85 (d, 9.0), 3.86 (d, 9.0)

12′

 

1.44 s

1.04 s

1.17 s

1.14 s

1.09 s

13′

 

1.55 s

1.45 s

1.46 s

1.12 overl

1.58 (d, 6.6)

14′

 

1.67 s

1.49 s

1.62 s

0.83 s

1.08 s

15′

 

1.55 s

0.69 (d, 6.7)

0.95 (d, 9.0)

1.12 overl

1.11 (d, 7.2)

  1. *Data were measured in CD3OD. **Data were measured in Pyridine d5.
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