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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 |
References
A. Castro, J. Coll, Y.A. Tandron, A.K. Pant, C.S. Mathela, J. Nat. Prod. 71, 1294 (2008)
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(2013). Ajugacetalsterone D. In: Azimova, S.S. (eds) Natural Compounds. Springer, New York, NY. https://doi.org/10.1007/978-1-4614-0543-6_61
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DOI: https://doi.org/10.1007/978-1-4614-0543-6_61
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