Figure 3.

Characteristic ¹H NMR segmental spectra patterns of steroidal compounds. Four subspectra of 3 were generated using the Daisy software program, corresponding to steroidal rings (a) A, (b) B, (c) C, and (d) D, respectively. Given the ¹H chemical shifts deduced from the 2D HSQC measurements (Supporting Information Figure S9) and associated J_H–H coupling constants determined from 1 and 2 (Table 1), the ¹H NMR subspectra were constructed, for details see text. Note that the spectral similarities can be identified in different steroidal compounds. (e) A summation of the four subspectra (a–d) in the simulation of the respective ¹H NMR spectrum. (f) Experimental ¹H NMR spectrum. For better clarity, the subspectra are presented on different scales.