Table 1. Step 1 of the Comparison Process: Subtraction of ¹³C NMR Data Set 1 from Set 3 and Classification of the Chemical Shifts by Magnitude of the Differences.

C	anti	syn	δ3 – δ1 (ppb)	categorya
C22	14.181	14.181	0	same
C1	14.389	14.389	0	same
Meb	19.553	19.553	0	same
Meb	19.570	19.570	0	same
Meb	19.589	19.589	0	same
Meb	19.647	19.649	2	UC
C2	20.080	20.080	0	same
Mec	20.302	20.302	0	same
C21	23.072	23.072	0	same
C12	26.928	26.940	12	RD
C14	27.063	27.070	7	RD
C8	27.294	27.294	0	same
C6	27.294	27.294	0	same
C20	29.176	29.176	0	same
C4	29.715	29.715	0	same
C18	29.982	29.982	0	same
C16	29.982	29.982	0	same
C10	29.995	30.002	7	RD
C13	30.346	30.365	19	RD
C19	36.573	36.570	–3	UC
C15	36.876	36.878	2	UC
C11	37.876	37.885	9	RD
C3	40.222	40.222	0	same
C17	45.225	45.222	–3	UC
C5	45.552	45.550	–2	UC
C9	45.579	45.562	–17	RD
C7	46.535	46.537	2	UC

^aUC is uncertain; RD is reliably different.

^bMe groups 4,6,8,10.

^cMe groups 16,18.