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Table 1 1 H-NMR data of compounds 1–5 in ppm, J in Hz

From: Microbial transformation of anti-cancer steroid exemestane and cytotoxicity of its metabolites against cancer cell lines

COMPOUNDS

Carbon

1 a

2 a

3 b

4 b

5 b

1

7.21 d (10.0)

7.21 d (10.5)

7.31 d (10.2)

7.34 d (10.5)

7.31 d (10.2)

2

6.14 dd (10.5, 2.0)

6.12 dd (10.5, 2.0)

6.21 dd (10.2, 1.8)

6.42, dd (10.5, 2.0)

6.22 dd (10.2, 1.8)

3

-

-

-

-

-

4

5.99, d (2.0)

6.00 d (2.0)

6.08 d (1.8)

6.11 d (2.0)

6.09 d (1.8)

5

-

-

-

-

-

6

-

-

-

-

-

7

2.69, 1.97 m

2.13, 1.28 m

2.56 d (9.0), 1.87 m

2.57, 1.96 m

2.66, 1.82 m

8

2.03 m

1.98 m

1.86 m

1.98 m

1.83 m

9

1.34 m

1.62 m

1.35 m

1.48 m

1.05 m

10

-

-

-

-

-

11

1.92, 1.76 m

4.30 m

1.91, 1.31 m,

1.93, 1.84 m

1.75, 1.83 m

12

1.78, 1.28 m

2.13, 1.28 m

1.90, 1.16 m

2.01, 1.45 m

1.13, 1.92 m

13

-

-

-

-

-

14

1.43 m

1.37 m

0.93 m

1.63 m

1.27 m

15

1.99, 1.67 m

1.93, 1.80 m

2.20, 1.30 m

2.29, 1.95 m

1.65, 1.38 m

16

2.41, 1.95 m

2.66, 1.95 m

4.07 m

-

2.00, 1.51 m

17

-

-

3.30 d (7.5)

3.77 s

3.55 t (8.7)

18

0.92 s

0.99 s

0.99 s

0.81 s

0.81 s

19

1.19 s

1.18 s

1.18 s

1.21 s

1.17 s

20

5.03, 5.01 s

5.04, 5.02 s

5.02 t (1.9)

5.06, 5.04 s

4.99, 5.01 s

  1. a 500 MHz (CD3)2CO.
  2. b 300 MHz CD3OD.