2-Deoxyecdysone-3-Acetate

CAS Registry Number: 105888-75-3 Open image in new window

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

Biological sources: Silene scabrifolia [1]

C₂₉H₄₆O₆: 490.3294

Mp: 216–218°C (EtOH–H₂O) [1]

[α]_D²⁰ + 131.9 ± 2° (c 0.90, MeOH) [1]

IR (KBr) ν_max cm⁻¹: 3340–3475, 1735, 1665, 1250 [1]

UV λ_max^EtOH nm (log ε): 245 (4.00) [1]

EI-MS m/z: 490 [M]⁺ (0.2), 473 (2), 454 (27), 444 (2), 439 (2), 412 (3), 397 (2), 384 (3), 379 (4), 374 (25), 356 (27), 341 (31), 327 (27), 326 (34), 305 (27), 281 (7), 276 (8), 275 (6), 267 (7), 266 (7), 251 (27), 217 (27), 216 (27), 215 (17), 99 (100), 81 (65) [1]

CD (c, 0.12, MeOH): Δε = +2.11 (330 nm), Δε = −2.30 (253 nm) [1]

¹H NMR (100 MHz, C₅D₅N): 4.87 (m, H-3), 6.00 (s, H-7), 3.25 (m, H-9), 0.57 (s, CH₃-18), 0.87 (s, CH₃-19), 1.12 (s, CH₃-21), 4.00 (m, H-22), 1.25 (s, CH₃-26), 1.25 (s, CH₃-27), 1.85 (s, CH₃COO -3) [1]