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. 2022 Nov 24;20(12):732. doi: 10.3390/md20120732

Table 1.

13C-NMR (125 MHz) and 1H-NMR (500 MHz) data (CDCl3) of roretziaxanthin (1).

Position 13C-NMR 1H-NMR Position 13C-NMR 1H-NMR
δ δ Mult.J (Hz) δ δ Mult.J (Hz)
1 36.80 dd (13.5, 13.5) 1’ 146.0
2 45.38 1.81 dd (13.5, 5.5) 2’ 46.23 3.78 d (7.5)
2.15 ddd (13.5, 5.5, 2.0)
3 69.19 4.32 3’ 41.46 2.20 dd (18.5, 2.0)
2.71 dd (18.5, 7.5)
4 200.42 4’ 207.79
5 126.78 5’ 136.92
6 162.25 6’ 164.60
7 123.33 6.22 d (16.0) 7’ 120.59 6.62 d (15.5)
8 142.35 6.43 d (16.0) 8’ 141.39 6.95 d (15.5)
9 134.66 9’ 135.25
10 135.16 6.31 d (11.0) 10’ 137.51 6.37 d (11.5)
11 124.73 6.69~6.63 overlapped 11’ 124.73 6.69~6.63 overlapped
12 139.67 6.45 d (15.5) 12’ 140.49 6.49 d (11.5)
13 136.78 13’ 136.92
14 133.81 6.33~6.31 overlapped 14’ 134.34 6.33~6.31 overlapped
15 130.65 6.69~6.63 overlapped 15’ 130.95 6.69~6.63 overlapped
16 29.15 1.32 s 16’ 112.90 4.88 t (2.0)
4.95 s
17 30.75 1.21 s 17’ 18.08 1.52 s
18 14.04 1.95 s 18’ 8.40 1.88 d (2.0)
19 12.85 2.01 s 19’ 2.48/12.81 2.00/2.01 s
20 12.59 1.99 s 20’ 2.48/12.81 2.00/2.01 s
OH 3.69 d (2.0)

Multiplicity: s: singlet, d: doublet, q: quartet, m: multiplet. 1H- and 13C-NMR signals of 19′ and 20′ are indistinguishable.