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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 |
References
J.K. Cheng, Y.H. Zhang, Z.Y. Zhang, D.L. Cheng, G.L. Zhang, Chem. J. Chinese Univ. 23, 2084 (2002)
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(2013). Ajugasterone C-2,3;20,22-Diacetonide. In: Azimova, S.S. (eds) Natural Compounds. Springer, New York, NY. https://doi.org/10.1007/978-1-4614-0543-6_68
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DOI: https://doi.org/10.1007/978-1-4614-0543-6_68
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