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Table 2 1H and 13C NMR data for compounds R1, X1, C1 and A1 (500 MHz for 1H NMR and 125 MHz for 13C NMR, D2O, J in Hz, δ in ppm)

From: Transcriptome-enabled discovery and functional characterization of enzymes related to (2S)-pinocembrin biosynthesis from Ornithogalum caudatum and their application for metabolic engineering

Position

R1

X1

A1

C1

 

δ H

δ C

δ H

δ C

δ H

δ C

δ H

δ C

1

 

158.3

 

158.1

 

158.0

 

158.1

2

8.01 (1H, s)

155.6

7.97 (1H, s)

155.3

7.97 (1H, s)

155.3

8.00 (1H, s)

155.3

3

 

152.0

 

151.8

 

151.7

 

151.7

4

 

121.4

 

121.3

 

121.3

 

121.3

5

8.31 (1H, s)

142.5

8.32 (1H, s)

142.4

8.04 (1H, s)

142.3

8.31 (1H, s)

142.3

6

5.99 (1H, d, J 6.0)

89.4

5.95 (1H, d, J 6.0)

89.5

6.01 (1H, d, J 8.5)

89.6

5.95 (1H, d, J 6.0)

89.5

7

4.70 (1H, br m)

77.1

4.73 (1H, br m)

77.1

4.80 (1H, br m)

77.1

4.70 (1H, br m)

77.1

8

4.67 (1H, br m)

76.5

4.67 (1H, br m)

76.4

4.73 (1H, br m)

76.3

4.70 (1H, br m)

76.3

9

4.48 (1H, br m)

86.6

4.47 (1H, br m)

86.3

4.55 (1H, br m)

86.4

4.47 (1H, br m)

86.4

10

4.18 (2H, br m)

68.5

4.20 (2H, br m)

68.3

4.28 (2H, br m)

68.4

4.20 (2H, br m)

68.4

11

3.49 (1H, m); 3.77 (1H, m)

74.9

3.50 (1H, m); 3.77 (1H, m)

74.8

3.59 (1H, m); 3.83 (1H, m)

74.7

3.77 (2H, m)

74.8

12

 

41.2

 

41.2

 

41.2

 

41.2

13

0.83 (3H, s)

23.7

0.82 (3H, s)

23.7

0.91 (3H, s)

23.7

0.82 (3H, s)

23.7

14

0.70 (3H, s)

21.2

0.69 (3H, s)

21.2

0.78 (3H, s)

21.3

0.69 (3H, s)

21.2

15

3.95 (1H, m)

77.1

3.94 (1H, s)

77.0

4.04 (1H, s)

77.1

3.94 (1H, s)

77.1

16

 

177.6

 

177.6

 

177.6

 

177.6

17

3.39 (2H, m)

38.3

3.38 (2H, m)

38.3

3.48 (2H, m)

38.4

3.39 (2H, m)

38.3

18

2.39 (2H, m)

38.2

2.37 (2H, m)

38.2

2.47 (2H, m)

38.2

2.38 (2H, m)

38.2

19

 

176.9

 

176.8

 

176.8

 

176.9

20

3.34 (2H, m)

41.5

3.30 (2H, m)

41.6

3.40 (2H, m)

41.7

3.33 (2H, m)

41.6

21

3.05 (2H, m)

31.0

2.99 (2H, m)

30.9

3.08 (2H, m)

30.9

3.02 (2H, m)

30.9

22

 

196.1

 

195.9

 

195.7

 

195.9

23

6.66 (1H, d, J 16.0)

127.0

6.38 (1H, d, J 15.5)

121.3

6.38 (1H, d, J 16.0)

124.3

6.38 (1H, d, J 16.0)

124.5

24

7.33 (1H, d, J 16.0)

144.5

7.20 (1H, d, J 15.5)

144.5

7.18 (1H, d, J 16.0)

144.7

 

144.6

25

 

133.9

 

128.5

 

128.9

 

129.0

26

7.43 (1H, dd, J 1.5, 8.0)

131.3

7.22 (1H, dd, J 1.5, 9.0)

118.7

6.83 (1H, br s)

113.7

6.86 (1H, s)

117.8

27

7.37 (1H, m)

131.9

6.70 (1H, dd, J 1.5, 9.0)

133.5

 

150.9

 

150.2

28

7.37 (1H, m)

136.3

 

161.3

 

150.2

 

147.0

29

7.37 (1H, m)

131.9

6.70 (1H, dd, J 1.5, 9.0)

133.5

6.74 (1H, d, 8.5)

118.3

6.72 (1H, d, 8.0)

118.9

30

7.43 (1H, dd, J 1.5, 8.0)

131.3

7.22 (1H, dd, J 1.5, 9.0)

118.7

6.79 (1H, dd, J 1.5, 8.5)

126.5

6.77 (1H, dd, J 1.5, 8.0)

125.9

−OCH3

    

3.78 (3H, s)

58.5

  
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