Fig. 6.

The major conformers suggested by QM calculation (C-1′–C-2′, left) (see Table S1-1 and Fig. S1-21) and J-based analysis (C-3′–C-2′, right). δ_H(H) and δ_H′(L) indicate 2.26 and 2.19, respectively. ^aMPW1PW91/6-31G(d,p) calculated J values. ^bExperimental J values observed from HETLOC and 1-D ¹H-NMR spectrum. TAD: see Table 2. The geometry of melissifoliane B (2) was optimized as shown in Fig. 5. SSCCs of each C-1′–C-2′ staggered rotamer were calculated in a manner identical to that completed for melissifoliane A (1).