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Table 1 NMR Spectroscopic Data (500 MHz, CDCl3) of compound 3 (betulinic acid-3-trans-caffeate)

From: Triterpenoids from Acacia ataxacantha DC: antimicrobial and antioxidant activities

Position

Compound 3

δH (J in Hz)

δC, type

1

1.73 (m), 1.07 (m)

39.2, CH2

2

1.68 (m), 1.68 (m)

24.6, CH2

3

4.57 (t, 5.1)

81.2, CH

4

38.3, C

5

0.91 (m)

55.7, CH

6

1.53 (m), 1.46 (m)

19, CH2

7

1.39 (m), 1.51 (m)

35.1, CH2

8

42.7, C

9

1.43 (m)

50.7, CH

10

34.6, C

11

1.12 (m), 1.46 (m)

21.8, CH2

12

1.26 (m), 1.74 (m)

26.4, CH2

13

2.39 (m)

39.0, CH

14

43.3, C

15

1.59 (m), 1.20 (m)

30.5, CH2

16

2.26 (m) 1.44 (m)

32.9, CH2

17

56.8, C

18

1.59(m)

49.5, CH

19

3.0(m)

47.1, CH

20

150, C

21

1.93 (m), 1.37 (m)

31.4, CH2

22

1.50 (m), 1.92 (m)

37.9, CH2

23

0.86 (s)

28.3, CH3

24

0.89 (s)

16.3, CH3

25

0.93 (s)

16.9, CH3

26

0.97 (s)

16.4, CH3

27

0.97 (s)

14.9, CH3

28

177.8, C

29

4.60, 4.57 (brs)

110, CH2

30

1.68 (s)

19.6, CH3

1′

128, C

2′

7.07 (d, 1.2)

122.6, CH

3′

115.8, C

4′

146.1, C

5′

6.86 (d, 8.0)

143.9, CH

6′

6.99 (dd, 8.0, 1.2)

114.6, CH

7′

7.53 (d, 15.9)

144.3, CH

8′

6.24 (d, 15.9)

116.9, CH

9′

167.7, C

  1. Assignments were based on 2D NMR including HSQC, HMBC and NOESY. Well-resolved couplings are expressed with coupling patterns and coupling constants in hertz in parentheses