CAS Registry Number: 899428-76-3

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

Biological sources: Serratula coronata [1]

C29H46O7: 506.3243

1 H NMR (500 MHz, J/Hz, D2O): 1.38 (m, Ha-1), 2.48 (dd, J = 13.5, 4.0, He-1), 4.09 (m, Ha-2), 4.09 (m, He-3), 1.74 (t, Ha-4), 1.74 (t, He-4), 2.32 (m, H-5), 5.98 (d, J = 2.5, H-7), 3.11 (br d, J = 8.5, H-9), 4.20 (m, Ha-11), 2.02 (m, Ha-12), 2.18 (m, He-12), 1.67 (m, Ha-15), 2.05 (m, Hb-15), 1.95 (m, Ha-16), 1.80 (m, Hb-16), 2.31 (m, H-17), 0.84 (s, CH3-18), 1.09 (s, CH3-19), 1.24 (s, CH3-21), 3.83 (m, H-22), 1.56 (m, Ha-23), 1.36 (m, Hb-23), 1.53 (m, Ha-24), 1.30 (m, Hb-24), 1.60 (m, H-25), 0.90 (d, J = 6.9, CH3-26), 0.91 (d, J = 6.9, CH3-27), Other: –OC(CH3)O: 1.38 (d, J = 5.0), OCHO: 5.15 (q, J = 5.0) [1]

13 C NMR (125 MHz, D2O) [1]:

Table 1

C-1

38.8 (t)

C-11

69.9 (d)

C-21

24.1 (q)

2

68.8 (d)

12

 

 22

 

3

68.8 (d)

13

47.9 (s)

 23

 

4

 

14

86.4 (s)

 24

37.4 (t)

5

52.4 (d)

15

 

 25

29.1 (d)

6

 

16

 

 26

23.5 (q)

7

123.4 (d)

17

51.7 (d)

 27

23.5 (q)

8

 

18

19.1 (q)

COCH3

21.7 (q)

9

38.8 (d)

19

24.8 (q)

OCO

102.2 (d)

10

42.3 (s)

20

87.3 (s)

  

Pharm./Biol.: Drosophila melanogaster BII bioassay: EC50 = 6.2 × 10−7M [1].