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. 2022 Mar 15;7(12):10277–10291. doi: 10.1021/acsomega.1c06917

Table 1. Data Relative to the 1H NMR of II.1.

proton signal (ppm) coupling constants
H2 (not equivalent) two duplicated doublets (3.52 and 3.56) JH2b-H2a = 10.4 Hz
    JH2b-H1 = 5.5 Hz
    JH2a-H2b = 10.4 Hz
    JH2a-H1 = 4.7 Hz
H1 split quintuplet (3.69) JH1-H2a = 4.7 Hz
    JH1-2b = 5.5 Hz
H3 two doublets of doublets (4.01 and 4.15) JH5a-H3a = JH5a-H3b = 1.2 Hz
    JH4-H3a = JH4-H3b = 5.6 Hz
H6 doublet of doublet of doublet (4.15) JH8a-H6a = JH8a-H6b = 1.2 Hz
    JH8b-H6a = JH8b-H6b = 1.6 Hz
    JH7-H6a = JH7-H6b = 5.6 Hz
H5a and H8a (with H4 in cis position) two doublets of doublets of doublets (5.15 and 5.17) JH8a-H7 = 10.4 Hz
    JH8a-H8b = 3.07 Hz
    JH8a-H6a = JH8a-H6b = 1.2 Hz
    JH5a-H4 = 10.4 Hz
    JH5a-H5b = 3.07 Hz
    JH5a-H3a = JH5a-H3b = 1.2 Hz
H5b and H8b (with H4 in trans position) two doublets of doublets (5.27 and 5.28) JH5b-H4 = 17.2 Hz
    JH5b-H5a = 3.5 Hz
    JH5b-H3a = JH5b-H3b = 1.6 Hz
    JH8b-H7 = 17.2 Hz
    JH8b-H8a = 3.5 Hz
    JH8b-H6a = JH8b-H6b = 1.6 Hz
H4 and H7 two doublets of triplets (5.90 and 5.92 ppm) JH4-H3a = JH4-H3b = 5.6 Hz; JH4-H5a = 10.4 Hz; JH4-H5b = 17.2 Hz; JH7-H6a = JH7-H6b = 5.6 Hz; JH7-H8a = 10.4 Hz; JH7-H8 = 17.2 Hz)