Skip to main content
. 2019 Jan 23;85(3):e02223-18. doi: 10.1128/AEM.02223-18

TABLE 2.

1H (500 MHz) and 13C NMR (125 MHz) spectral data of 4-norestrogenic acid and 4-hydroxyestrone (a reference)a

Position 4-Norestrogenic acid
4-Hydroxyestrone
1H (δ [ppm]) (J [Hz]) 13C 1H(δ [ppm]) (J [Hz]) 13C
1 6.26 dd (9.9, 15.5) 145.3 6.66 d (7.8) 117.1
2 5.87 d (15.5) 131.7 6.61 d (7.8) 113.3
3 176.0 143.5
4 143.5
5 3.35 m 73.8 125.0
6 2.03 m 35.1 2.94 dd (3.8, 12.3) 24.6
1.36 m 2.63 m
7 1.83 m 29.2 2.38 m 27.2
1.10 m
8 1.31 m 40.9 1.47 m 39.4
9 0.93 m 47.0 2.21 m 45.5
10 1.82 m 56.3 133.0
11 1.68 m 28.0 2.10 m 27.4
1.22 m 1.37 m
12 1.68 m 32.7 1.89 m 32.9
1.21 m 1.44 m
13 49.4 49.4
14 1.35 m 51.8 1.54 m 51.7
15 1.95 m 22.7 2.09 m 22.5
1.59 m 1.68 m
16 2.43 dd (8.8, 19.3) 36.8 2.51 dd (8.3, 18.4) 36.8
2.07 dd (8.8, 19.3) 2.15 dd (8.3, 18.4)
17 223.7 224.0
18 0.89 s 14.4 0.93 s 14.3
a

Measured in methanol-d4.