CAS Registry Number: 84028-24-0

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

Biological sources: Rhaponticum uniflorum [1]

C33H52O7: 560.3713

Mp: 134–136°C [1]

IR (KBr) νmax cm−1: 3431, 2929, 1662, 1459, 1384, 1375, 1217, 1165, 1056 [1]

EI-MS m/z: 560 [M]+, 545 [M-CH3]+, 502, 484, 460, 419, 379, 344, 317, 306, 185, 142, 127, 109 [1]

1 H NMR (400 MHz, J/Hz, C5D5N): 1.44 (d, J = 11.4, Ha-1), 2.56 (dd, J = 4.8, 11.4, He-1), 4.52 (m, Ha-2), 4.29 (m, He-3), 1.74 (Ha-4), 1.87 (He-4), 2.23 (dd, J = 4.1, 12.2, H-5), 5.58 (d, H-7), 2.84 (m, H-9), 4.12 (Ha-11), 2.12 (Ha-12), 2.23 (He-12), 1.74 (Ha-15), 2.10 (Hb-15), 2.04 (Ha-16), 2.13 (Hb-16), 2.21 (H-17), 0.78 (s, CH3-18), 1.04 (s, CH3-19), 1.16 (s, CH3-21), 3.60 (dd, J = 5.5, 7.0, H-22), 1.37 (Ha-23), 1.54 (Hb-23), 1.58 (H-25), 0.89 (d, J = 6.5, CH3-26), 0.91 (d, J = 6.5, CH3-27), Other: 1.32 (CH3-2), 1.33(CH3-3), 1.41 (CH3-20), 1.49 (CH3-22) [1]

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

Table 1

C-1

39.98

C-11

68.09

C-21

21.84

2

72.54

12

42.39

 22

81.57

3

71.59

13

47.14

 23

27.12

4

27.48

14

84.42

 24

36.38

5

52.09

15

31.65

 25

28.22

6

203.29

16

21.16

 26

22.45

7

122.13

17

48.79

 27

22.58

8

161.14

18

17.70

CH3

26.76, 26.83, 29.04, 30.87

9

41.88

19

23.59

OCO

108.09, 106.81

10

38.58

20

83.90