Table 1.

¹H (500 MHz) and ¹³C (100 MHz) data for mirasorvone in CDC₃

13C data		1H data			gHMBC correlations, carbon no.
Carbon no.	δ, ppm	Proton no.	δ, ppm	J, Hz
C-1	33.9	1-Hα	1.71	J1α,1β = 12.9, J1a,2β = 12.8, J1α,2α = 5.4	C-2, 9, 10, 19
		1-Hβ	2.00	J1β,2β = 4.8, J1β,2α = 2.4	C-2, 3, 5, 10, 19
C-2	33.9	2-Hα	2.42	J2α,2β = 17.8	C-1, 3, 10
		2-Hβ	2.60		C-1, 3
C-3	199.5
C-4	123.8	4-H	5.69		C-1(2), 6, 10
C-5	163.3
C-6	128.1	6-H	6.12	J6,7 = 9.7, J6,8 = 1.7
C-7	140.3	7-H	6.17	J7,8 = 2.7	C-5, 8, 9
C-8	39.8	8-H	1.96	J8,9 = 9.6, J8,14 = 11.3	C-6, 7, 14
C-9	49.9	9-H	1.22	J9,11β = 12.5, J9,11α = 2.9	C-11, 19
C-10	36.0
C-11	22.5	11-Hβ	1.12	J11β,11α = J11β,12α = 12.5, J11β,12β = 3.9	C-9
		11-Hα	1.72	J11α,12α = 3.9, J11α,12β = 2.8	C-9
C-12	37.8	12-Hα	1.55	J12α,12β = 12.6	C-18
		12-Hβ	2.40		C-9, 14
C-13	56.7
C-14	52.7	14-H	1.46	J14,15β = 12.9, J14,15α = 5.0	C-15, 18
C-15	25.7	15-Hβ	1.35	*J15β,15α = *J15β,16α = 10.0, *J15β,16β = 7.6	C-14
		15-Hα	1.83	*J15α,16α = 7.7, *J15α,16β < 1	C-13, 14
C-16	27.2	16-Hα	1.68	*J16α,16β = 11.0, *J16α,17 = 10.3
		16-Hβ	1.68	*J16β,17 = 3.3
C-17	56.0	17-H	2.14
C-18	72.9	18-Ha	3.77	J18α,18β = 9.5
		18-Hb	3.79		C-14, 20
C-19	16.3	19-H	1.07		C-1, 5, 9, 10
C-20	107.6
C-21	24.8	21-H	1.51		C-17, 20

^*(¹H,¹H)-Coupling constants marked with asterisks were determined by dqCOSY experiments with C₆D₆ as the solvent, which afforded better separation of these proton signals.