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. 2020 Aug 28;10(53):32043–32049. doi: 10.1039/d0ra04565a

NMR spectroscopic data of compounds 1-3 and cannabitriol-C3 (in CDCl3).

No. 1 2 3 Cannabitriol-C3
δ H (J in Hz) δ C δ H (J in Hz) δ C δ H (J in Hz) δ C δ H (J in Hz) δ C
1 153.4 153.4 155.4 152.2
2 6.35, d (1.6) 111.2 6.36, d (1.6) 111.1 6.17, d (1.4) 109.4 6.34, d (1.6) 110.9
3 144.8 145.1 144.5 144.5
4 6.28, d (1.6) 108.7 6.28, d (1.6) 108.6 5.95, d (1.4) 108.3 6.30, d (1.6) 109.3
4a 153.5 153.5 153.7 153.7
6 76.3 76.3 75.7 76.6
6a 138.1 138.0 1.49, m 46.9 136.1
7 2.20, dd (19.3, 6.2) 22.1 2.20, dd (19.3, 6.0) 22.1 1.35, m 17.1 2.14, dt (19.0, 4.7) 22.6
2.45, m 2.46, m 1.67, m 2.39, m
8 1.75, m 30.9 1.75, m 30.9 1.81, ddd (14.5, 13.0, 4.6) 29.7 1.78, m 29.1
1.89, dd (14.2, 7.3) 1.89, dd (14.2, 7.3) 2.06, dt (14.5, 3.2)
9 70.1 70.1 61.6 70.5
10 4.27, br s 77.6 4.27, br s 77.6 3.87, s 66.3 4.19, br s 72.4
10a 117.8 117.8 68.7 122.2
10b 108.4 108.3 109.0 109.0
11 1.30, s 23.7 1.30, s 23.7 1.39, s 25.8 1.23, s 23.5
12 1.50, s 25.4 1.50, s 25.4 1.40, s 27.7 1.45, s 25.2
13 1.41, s 26.3 1.41, s 26.3 1.45, s 22.6 1.39, s 25.1
1′ 2.45, m 37.7 2.46, m 35.6 2.27, m 37.6 2.45, t (7.2) 37.7
2′ 1.60, m 23.8 1.58, m 30.4 1.48, m 23.7 1.60, m 23.9
3′ 0.93, t (7.3) 13.9 1.30, m 31.5 0.87, t (7.3) 14.0 0.92, t (7.3) 13.8
4′ 1.31, m 22.5
5′ 0.88, t (6.9) 14.0
1-OH 9.40, br s 9.40, br s 7.38, br s 8.57, br s
graphic file with name d0ra04565a-t1.jpg 3.34, s 51.9 3.34, s 51.9