CAS Registry Number: 1033773-10-2

Taxonomy: Physicochemical and Biological Properties of Phytoecdysteroids – Phytoecdysteroids and Their Conjugates

Biological sources: Ajuga macrosperma var. breviflora [1]

C30H48O8: 536.3349

Mp: amorphous solid [1]

[α] 22D + 71.6° (c 0.1; MeOH) [1]

HR-ESI-MS m/z: for C30H49O8 [M + H]+ calcd. 537.3427, found 537.3428 [1]

1 H NMR (500 MHz, J/Hz, C5D5N): 1.82 (dd, J = 12.2, 12.4, Ha-1), 2.03 (He-1), 4.08 (dt, J = 3.8, 11.3, Ha-2), 4.15 (He-3), 1.75 (Ha-4), 2.01 (dt, J = 3.7, 13.7, He-4), 2.93 (dd, J = 3.7, 13.1, H-5), 6.16 (d, J = 2.2, H-7), 3.50 (Ha-9), 1.64 (Ha-11), 2.56 (td, J = 5.1, 13.9, Ha-12), 1.97 (He-12), 1.77 (Ha-15), 2.05 (Hb-15), 2.23 (Ha-16), 2.38 (td, J = 8.8, 10.5, Hb-16), 3.48 (dd, J = 8.8, 9.3, H-17), 1.13 (s, CH3-18), 0.97 (s, CH3-19), 1.59 (s, CH3-21), 3.77 (d, J = 8.0, Hb-22), 3.96 (t, J = 8.0, Ha-23), 2.50 (m, H-24), 2.24 (dq, J = 6.8, H-25), 4.57 (s, CH3-26), 0.76 (d, J = 7.1, CH3-27), 1.33 (Ha-28), 2.07 (Hb-28), 0.78 (t, J = 7.3, CH3-29), 3.40 (s, OCH3) [1]

13 C NMR (100 MHz, C5D5N) [1]:

Table 1

C-1

37.9

C-11

21.1

C-21

22.8

2

68.0

12

31.8

22

79.4

3

68.0

13

47.7

23

83.4

4

32.5

14

84.2

24

47.7

5

51.4

15

31.8

25

41.0

6

 

16

21.7

26

111.6

7

121.4

17

50.1

27

11.6

8

 

18

18.2

28

21.3

9

34.4

19

24.4

29

13.0

10

38.6

20

76.4

OCH3

55.4