. 2016 Sep 23;6:33990. doi: 10.1038/srep33990

Table 1. ¹H (400 MHz) and ¹³C NMR (100 MHz) data for zephycandidine A (1) (Methanol-d ₄) and DFT calculation of ¹³C NMR for 1a and 1b.

position	1		1a		1b
position	δ_H (mult, J)	δ_C	δ_C(cal.)	δ_C(cor.)	δ_C(cal.)	δ_C(cor.)
1	8.47, dd, (8.2, 1.2)	125.4	128.6	125.4	128.6	126.2
2	7.58, ddd, (8.2, 7.4, 1.0)	126.9	129.1	125.9	129.8	127.7
3	7.67, ddd, (8.4, 7.4, 1.2)	129.8	131.8	128.9	131.9	130.3
4	8.14, dd, (8.4, 1.0)	117.5	120.9	116.9	120.3	115.8
4a		132.3	135.4	132.9	134.4	133.5
6		143.8	145.5	144.0	132.8	131.5
6a		119.8	125.0	121.4	125.2	121.9
7	7.88, s	103.2	107.8	102.5	107.3	99.5
8		150.7	151.8	150.9	151.9	155.4
9		151.6	152.3	151.4	151.3	154.6
10	7.99, s	103.1	106.8	101.4	107.4	99.6
10a		125.5	128.1	124.8	126.1	123.1
10b		123.1	127.3	123.9	127.9	125.3
11	7.52, d, (1.4)	113.8	116.8	112.4	131.5	129.8
12	8.32, d, (1.4)	131.5	134.7	132.1	125.3	122.1
OCH₂O	6.16, s	103.7	111.8	106.9	111.8	105.2

Table 1. 1H (400 MHz) and 13C NMR (100 MHz) data for zephycandidine A (1) (Methanol-d 4) and DFT calculation of 13C NMR for 1a and 1b.