Table S1
Comp / Atoms / a / b / Exp. CDCl3 / Exp. DMSO-d6 / CPMAS / CPMAS2 / H2 / 6.07 / 6.04 / 6.33
2 / H4 / 6.33 / 6.54 / 6.52
2 / H5 / 7.58 / 7.77 / 7.63
2 / OH-enol / 15.13 / 16.03 / 16.26
2 / H2' / 6.48 / 6.55 / 7.07
2 / 3'-OMe / 3.86 / 3.87 / 3.95
2 / 4'-OH / 5.46 / 5.47 / 5.86
2 / H5' / 6.99 / 6.98 / 6.94
2 / H6' / 7.48 / 7.54 / 7.14
2 / H2"/H6" / 8.04 / 7.93 / 7.95
2 / H3"/H5" / 7.38 / 7.39 / 7.47
2 / H4'' / 7.41 / 7.38 / 7.53
2 / C1 / 187.72 / 173.91 / 188.4 / 187.2
2 / C2 / 94.48 / 95.87 / 97.2 / 97.8
2 / C3 / 173.59 / 186.82 / 180.5 / 179.2
2 / C4 / 117.90 / 120.32 / 121.0 / 123.2
2 / C5 / 139.38 / 141.88 / 140.4 / 139.0
2 / C1' / 127.94 / 127.92 / 127.7 / 131.7
2 / C2' / 111.10 / 111.79 / 109.6 / 112.4
2 / C3' / 145.89 / 145.89 / 146.9 / 148.0
2 / C3'-OMe / 53.29 / 53.37 / 56.0 / 56.0
2 / C4' / 149.68 / 149.87 / 147.8 / 153.5
2 / C5' / 115.10 / 114.93 / 114.9 / 116.5
2 / C6' / 118.74 / 119.15 / 122.9 / 121.3
2 / C1'' / 137.91 / 134.52 / 136.3 / 136.2
2 / C2"/C6" / 128.13 / 126.97 / 127.3 / 126.5
2 / C3"/C5" / 127.58 / 127.76 / 128.6 / 126.5
2 / C4'' / 131.61 / 131.24 / 132.4 / 132.1
3 / H2 / 6.11 / 6.07 / 6.34
3 / H4 / 6.37 / 6.60 / 6.55
3 / H5 / 7.56 / 7.77 / 7.55
3 / OH-enol / 15.07 / 15.98 / 16.10
3 / H2' / 6.53 / 6.61 / 7.06
3 / 3'-OMe / 3.84 / 3.86 / 3.94
3 / H5' / 7.05 / 7.04 / 7.06
3 / H6' / 7.36 / 7.42 / 7.15
3 / H2"/H6" / 8.03 / 7.94 / 7.95
3 / H3"/H5" / 7.39 / 7.40 / 7.47
3 / H4'' / 7.44 / 7.41 / 7.55
3 / C1 / 188.24 / 174.52 / 189.3 / 187.1
3 / C2 / 95.17 / 95.87 / 97.6 / 98.1
3 / C3 / 172.79 / 186.63 / 179.2 / 180.7
3 / C4 / 120.53 / 122.62 / 123.2 / 123.5
3 / C5 / 137.92 / 141.10 / 139.0 / 138.7
3 / C1' / 132.30 / 132.24 / 131.7 / 131.3
3 / C2' / 113.33 / 114.29 / 112.4 / 114.8
3 / C3' / 148.95 / 148.95 / 148.0 / 148.5
3 / C3'-OMe / 53.46 / 53.54 / 56.2 / 54.5
3 / C4' / 156.12 / 156.22 / 153.5 / 153.1
3 / C5' / 117.04 / 116.72 / 116.5 / 116.4
3 / C6' / 115.98 / 116.21 / 121.3 / 119.5
3 / C1'' / 137.62 / 134.11 / 136.2 / 137.2
3 / C2"/C6" / 128.25 / 127.05 / 127.3 / 127.5
3 / C3"/C5" / 127.68 / 127.87 / 128.6 / 128.4
3 / C4'' / 132.02 / 131.64 / 132.6 / 130.0
3 / 4'-F / -127.24 / -127.07 / -132.0 / -126.1
4 / H2 / 6.10 / 6.02 / 6.32 / 6.71
4 / H4 / 6.38 / 6.60 / 6.50 / 6.82
4 / H5 / 7.53 / 7.73 / 7.58 / 7.65
4 / OH-enol / 15.11 / 15.96 / 16.14 / 16.37
4 / H2' / 7.03 / 7.10 / 7.53 / 7.53
4 / 4'-OH / 4.90 / 4.92 / 5.39 / 10.48
4 / H5' / 7.04 / 7.03 / 7.03 / 7.00
4 / H6' / 7.53 / 7.60 / 7.32 / 7.37
4 / H2"/H6" / 8.08 / 7.97 / 7.95 / 7.99
4 / H3"/H5" / 7.40 / 7.42 / 7.48 / 7.53
4 / H4'' / 7.41 / 7.41 / 7.58 / 7.65
4 / C1 / 187.97 / 174.51 / 187.5 / 191.6
4 / C2 / 95.14 / 95.99 / 97.1 / 97.4
4 / C3 / 173.11 / 186.45 / 180.6 / 176.2
4 / C4 / 119.89 / 122.07 / 121.6 / 119.7
4 / C5 / 137.56 / 140.16 / 139.3 / 139.8
4 / C1' / 129.00 / 129.00 / 126.6 / 129.9
4 / C2' / 118.63 / 119.41 / 115.4 / 112.3
4 / C3' / 152.90 / 152.86 / 151.1 / 152.2 / 149.5
4 / C4' / 147.10 / 147.34 / 147.1 / 146.2
4 / C5' / 117.48 / 117.29 / 118.0 / 118.6
4 / C6' / 121.63 / 122.07 / 125.7 / 127.9
4 / C1'' / 137.58 / 134.24 / 135.4 / 136.2
4 / C2"/C6" / 128.08 / 126.99 / 127.1 / 127.9
4 / C3"/C5" / 127.78 / 127.95 / 128.8 / 128.8
4 / C4'' / 131.94 / 131.64 / 132.8 / 133.9
4 / 3'-F / -150.42 / -150.50 / -140.6 / -135.7 / -126.3
5 / H2 / 6.15 / 6.10 / 6.75
5a / H4 / 6.91 / 7.04 / 6.82
5a / H5 / 7.51 / 7.72 / 7.65
5a / OH-enol / 15.12 / 16.03 / 16.30
5a / H3' / 6.28 / 6.28 / 6.65
5a / 4'-OH / 3.92 / 3.92 / 10.55
5a / H5' / 6.66 / 6.67 / 6.65
5a / H6' / 7.25 / 7.35 / 7.64
5a / H2"/H6" / 8.13 / 8.02 / 8.01
5a / H3"/H5" / 7.38 / 7.40 / 7.54
5a / H4'' / 7.37 / 7.38 / 7.63
5a / C1 / 187.72 / 174.16 / 188.0 / 177.0
5a / C2 / 95.27 / 96.32 / 97.5 / 98.1
5a / C3 / 173.74 / 187.50 / 180.1 / 192.8
5a / C4 / 125.16 / 127.10 / 122.2 / 122.5
5a / C5 / 134.39 / 136.71 / 132.3 / 134.0
5a / C1' / 117.52 / 117.59 / 113.4 / 113.6
5a / C2' / 165.54 / 165.83 / 161.9 / 164.5 / 161.6
5a / C3' / 101.48 / 101.35 / 103.0 / 104.6
5a / C4' / 158.53 / 158.70 / 161.3 / 160.4
5a / C5' / 111.07 / 111.02 / 112.7 / 113.6
5a / C6' / 136.65 / 137.49 / 130.3 / 128.4
5a / C1'' / 137.49 / 134.32 / 135.4 / 135.8
5a / C2"/C6" / 127.96 / 126.85 / 127.2 / 128.4
5a / C3"/C5" / 127.77 / 127.95 / 128.9 / 128.4
5a / C4'' / 131.73 / 131.40 / 132.9 / 135.8
5a / 2'-F / -106.36 / -104.67 / -113.5 / -103.2
6 OH/F4 / H2 / 6.22 / 6.18 / 6.82
6 OH/F4 / H4 / 7.11 / 7.22 / 6.97
6 OH/F4 / H5 / 7.47 / 7.69 / 7.64
6 OH/F4 / OH-enol / 15.09 / 16.03 / 16.10
6 OH/F4 / 3'-OH / 4.52 / 4.50 / 10.46
6 OH/F4 / H5' / 6.76 / 6.77 / 7.12
6 OH/F4 / H6' / 6.74 / 6.84 / 7.26
6 OH/F4 / H2"/H6" / 8.19 / 8.08 / 8.02
6 OH/F4 / H3"/H5" / 7.39 / 7.41 / 7.55
6 OH/F4 / H4'' / 7.40 / 7.39 / 7.65
6 OH/F4 / C1 / 188.14 / 174.76 / 189.1 / 193.8
6 OH/F4 / C2 / 96.33 / 96.53 / 98.1 / 103.0
6 OH/F4 / C3 / 173.15 / 187.26 / 178.6 / 174.9
6 OH/F4 / C4 / 128.01 / 129.73 / 125.5 / 124.2
6 OH/F4 / C5 / 134.23 / 136.61 / 131.2 / 134.3
6 OH/F4 / C1' / 122.94 / 123.01 / 119.5 / 119.6
6 OH/F4 / C2' / 153.39 / 153.64 / 151.2 / 151.9
6 OH/F4 / C3' / 135.74 / 135.65 / 134.2 / 134.3
6 OH/F4 / C4' / 153.81 / 154.01 / 152.3 / 151.9
6 OH/F4 / C5' / 109.98 / 109.93 / 112.2 / 112.3
6 OH/F4 / C6' / 123.40 / 124.26 / 117.9 / 112.3
6 OH/F4 / C1'' / 137.15 / 133.98 / 135.4 / 136.2
6 OH/F4 / C2"/C6" / 127.93 / 126.81 / 127.4 / 128.6
6 OH/F4 / C3"/C5" / 127.92 / 128.12 / 128.9 / 128.6
6 OH/F4 / C4'' / 132.12 / 131.73 / 133.8 / 134.3
6 OH/F4 / 2'-F / -127.40 / -125.52 / -134.1 / -129.4
6 OH/F4 / 4'-F / -142.34 / -142.10 / -128.2 / -129.4
6 OH/F2 / H2 / 6.19 / 6.14 / 6.82
6 OH/F2 / H4 / 6.99 / 7.10 / 6.97
6 OH/F2 / H5 / 7.48 / 7.69 / 7.64
6 OH/F2 / OH-enol / 15.12 / 16.04 / 16.10
6 OH/F2 / 3'-OH / 4.70 / 4.69 / 10.46
6 OH/F2 / H5' / 6.77 / 6.78 / 7.12
6 OH/F2 / H6' / 6.74 / 6.84 / 7.26
6 OH/F2 / H2"/H6" / 8.18 / 8.06 / 8.02
6 OH/F2 / H3"/H5" / 7.38 / 7.41 / 7.55
6 OH/F2 / H4'' / 7.40 / 7.40 / 7.65
6 OH/F2 / C1 / 188.14 / 174.88 / 189.1 / 193.8
6 OH/F2 / C2 / 96.14 / 96.35 / 98.1 / 103.0
6 OH/F2 / C3 / 173.06 / 187.03 / 178.6 / 174.9
6 OH/F2 / C4 / 127.28 / 129.94 / 125.5 / 124.2
6 OH/F2 / C5 / 133.92 / 136.31 / 131.2 / 134.3
6 OH/F2 / C1' / 120.51 / 120.57 / 119.5 / 119.6
6 OH/F2 / C2' / 153.41 / 153.67 / 151.2 / 151.9
6 OH/F2 / C3' / 135.24 / 135.18 / 134.2 / 134.3
6 OH/F2 / C4' / 154.09 / 154.29 / 152.3 / 151.9
6 OH/F2 / C5' / 112.91 / 112.86 / 112.2 / 112.3
6 OH/F2 / C6' / 123.70 / 124.59 / 117.9 / 112.3
6 OH/F2 / C1'' / 137.12 / 133.96 / 135.4 / 136.2
6 OH/F2 / C2"/C6" / 127.90 / 126.78 / 127.4 / 128.6
6 OH/F2 / C3"/C5" / 127.92 / 128.14 / 128.9 / 128.6
6 OH/F2 / C4'' / 132.16 / 131.79 s / 133.8 / 134.3
6 OH/F2 / 2'-F / -145.16 / -143.52 / -134.1 / -129.4
6 OH/F2 / 4'-F / -126.05 / -125.74 / -128.2 / -129.4
7 / H2 / 6.16 / 6.10 / 6.72
7 / H4 / 6.94 / 7.07 / 6.89
7 / H5 / 7.38 / 7.60 / 7.59
7 / OH-enol / 15.10 / 16.01 / 16.25
7 / H3' / 6.79 / 6.78 / 6.83
7 / 4'-OH / 4.88 / 4.89 / 11.05
7 / H6' / 7.00 / 7.09 / 7.67
7 / H2"/H6" / 8.10 / 8.00 / 8.00
7 / H3"/H5" / 7.40 / 7.42 / 7.55
7 / H4'' / 7.40 / 7.40 / 7.63
7 / C1 / 188.12 / 174.61 / 188.5 / 194.9
7 / C2 / 95.91 / 96.28 / 97.7 / 100.4
7 / C3 / 173.08 / 187.07 / 179.9 / 174.8
7 / C4 / 126.48 / 128.44 / 123.6 / 121.2
7 / C5 / 133.08 / 135.34 / 131.0 / 129.3
7 / C1' / 117.52 / 117.55 / 113.1 / 114.4
7 / C2' / 162.00 / 162.30 / 157.1 / 158.1 / 155.4
7 / C3' / 105.15 / 105.01 / 105.1 / 106.9
7 / C4' / 146.40 / 146.63 / 148.3 / 147.3
7 / C5' / 148.81 / 148.78 / 148.0 / 149.7 / 147.3
7 / C6' / 119.32 / 120.13 / 116.0 / 111.4
7 / C1'' / 137.31 / 133.98 / 135.4 / 134.4
7 / C2"/C6" / 128.18 / 127.09 / 127.2 / 126.2 / 127.6
7 / C3"/C5" / 127.80 / 127.95 / 128.9 / 129.3
7 / C4'' / 132.05 / 131.73 / 133.0 / 132.9
7 / 2'-F / -109.82 / -108.10 / -118.6 / -115.4
7 / 5'-F / -154.45 / -154.55 / -140.1 / -138.2
8 / H2 / 5.70 / 5.78 / 6.01
8 / H4 / 6.08 / 6.34 / 6.43
8 / H5 / 7.83 / 8.02 / 7.71
8 / OH-enol / 13.84 / 15.08 / 14.36
8 / H2' / 6.92 / 7.01 / 7.06
8 / 3'-OMe / 3.83 / 3.83 / 3.96
8 / 4'-OH / 5.66 / 5.65 / 5.95
8 / H5' / 6.95 / 6.94 / 6.96
8 / H6' / 6.97 / 7.06 / 7.15
8 / C1 / 181.28 / 164.70 / 179.5 / 178.2
8 / C2 / 94.06 / 99.92 / 95.1 / 94.8
8 / C3 / 177.26 / 188.49 / 181.9 / 181.6
8 / C4 / 114.71 / 117.55 / 118.5 / 115.6
8 / C5 / 146.14 / 147.79 / 144.1 / 142.5
8 / C1' / 126.58 / 126.31 / 126.8 / 126.4
8 / C2' / 103.27 / 103.59 / 109.8 / 106.4
8 / C3' / 146.34 / 146.06 / 147.0 / 149.1
8 / C3'-OMe / 53.32 / 53.31 / 56.0 / 54.8
8 / C4' / 151.52 / 151.58 / 149.0 / 150.6
8 / C5' / 114.75 / 114.66 / 115.1 / 115.6
8 / C6' / 130.10 / 130.87 / 124.0 / 126.4
8 / CF3 / 120.75 / 123.13 / 116.9 / 115.6
8 / F-CF3 / -77.37 / -75.21 / –77.5 / -74.1
9 / H2 / 5.78 / 5.84 / 6.03
9 / H4 / 6.28 / 6.54 / 6.49
9 / H5 / 7.81 / 7.97 / 7.70
9 / OH-enol / 13.80 / 15.00 / 14.15
9 / H2' / 7.51 / 7.57 / 7.16
9 / 3'-OMe / 4.00 / 3.99 / 3.94
9 / H5' / 6.99 / 6.99 / 7.08
9 / H6' / 6.94 / 7.02 / 7.08
9 / C1 / 182.39 / 165.70 / 180.4 / 180.1
9 / C2 / 95.01 / 99.88 / 95.6 / 95.2
9 / C3 / 176.84 / 189.03 / 180.8 / 181.4
9 / C4 / 118.68 / 121.29 / 120.8 / 118.0
9 / C5 / 144.60 / 146.78 / 142.6 / 143.2
9 / C1' / 131.64 / 131.47 / 130.9 / 130.9 / 132.1
9 / C2' / 118.84 / 119.08 / 112.7 / 114.1
9 / C3' / 149.19 / 149.04 / 148.3 / 146.3 / 146.9
9 / C3'-OMe / 59.17 / 59.07 / 56.3 / 55.7 / 54.6
9 / C4' / 159.36 / 159.58 / 154.3 / 151.7 / 154.0
9 / C5' / 117.88 / 117.76 / 116.8 / 116.0
9 / C6' / 127.96 / 128.80 / 122.2 / 118.0
9 / CF3 / 120.54 / 122.98 / 116.7 / 117.3
9 / F-CF3 / -77.37 / -75.21 / -77.6 / -74.1
9 / 4'-F / -121.80 / -121.38 / -129.8 / -129.3
10 / H2 / 5.83 / 6.00 / 5.76
10 / H4 / 6.43 / 6.42 / 6.18
10 / H5 / 7.91 / 7.66 / 7.73
10 / OH-enol / 14.89 / 14.21 / 13.74
10 / H2' / 7.53 / 7.32 / 7.47
10 / 4'-OH / 5.03 / 5.49 / 5.02
10 / H5' / 6.92 / 7.05 / 6.91
10 / H6' / 7.16 / 7.27 / 7.09
10 / C1 / 165.48 / 180.2 / 182.00 / 179.3
10 / C2 / 99.98 / 95.5 / 94.77 / 95.1
10 / C3 / 188.53 / 181.0 / 176.49 / 180.1
10 / C4 / 120.12 / 120.0 / 117.50 / 117.7
10 / C5 / 145.23 / 142.3 / 142.97 / 142.7
10 / C1' / 127.57 / 127.7 / 127.70 / 124.9
10 / C2' / 111.31 / 114.9 / 111.20 / 110.4
10 / C3' / 152.84 / 151.1 / 153.04 / 150.5
10 / C4' / 148.66 / 146.2 / 148.53 / 148.3
10 / C5' / 116.87 / 117.8 / 116.95 / 115.0
10 / C6' / 132.46 / 126.3 / 131.75 / 130.8
10 / CF3 / 123.04 / 116.7 / 120.62 / 116.5
10 / F-CF3 / -75.14 / -77.6 / -77.30 / -72.1
10 / 3'-F / -146.93 / -140.1 / -146.64 / -134.0
11 / H2 / 5.77 / 5.86 / 6.01
11 / H4 / 6.79 / 6.95 / 6.57
11 / H5 / 7.59 / 7.78 / 7.81
11 / OH-enol / 13.72 / 14.88 / 14.29
11 / H3' / 6.29 / 6.71 / 6.64
11 / 4'-OH / 4.12 / 6.28 / 5.36
11 / H5' / 6.70 / 4.12 / 6.68
11 / H6' / 7.21 / 7.30 / 7.45
11 / C1 / 181.85 / 165.24 / 179.7 / 181.2
11 / C2 / 95.26 / 100.51 / 95.1 / 95.3
11 / C3 / 176.94 / 189.50 / 181.0 / 182.2
11 / C4 / 123.21 / 125.32 / 120.6 / 116.3
11 / C5 / 138.65 / 140.79 / 136.0 / 136.2
11 / C1' / 116.58 / 116.63 / 115.0 / 112.3
11 / C2' / 166.29 / 166.45 / 162.4 / 161.2
11 / C3' / 101.75 / 101.62 / 103.5 / 101.3
11 / C4' / 159.84 / 159.91 / 158.9 / 163.3
11 / C5' / 111.80 / 111.74 / 111.9 / 111.3
11 / C6' / 137.44 / 138.24 / 130.5 / 126.9
11 / CF3 / 120.65 / 123.12 / 116.3 / 115.8
11 / F-CF3 / -77.22 / -75.00 / -77.6 / -73.4
11 / 2'-F / -103.60 / -102.07 / -111.0 / -113.9
12 OH/F4 / H2 / 5.84 / 5.91 / 6.03 / 5.95
12 OH/F4 / H4 / 6.96 / 7.11 / 6.64 / 6.56
12 OH/F4 / H5 / 7.59 / 7.77 / 7.77 / 7.72
12 OH/F4 / OH-enol / 13.81 / 14.83 / 14.20 / 9.60
12 OH/F4 / 3'-OH / 4.52 / 4.52 / 5.40 / 9.60
12 OH/F4 / H5' / 6.82 / 6.82 / 6.97 / 6.82
12 OH/F4 / H6' / 6.71 / 6.80 / 7.08 / 6.92
12 OH/F4 / C1 / 182.75 / 165.98 / 180.2 / 183.0
12 OH/F4 / C2 / 95.92 / 100.45 / 95.6 / 96.6
12 OH/F4 / C3 / 176.56 / 189.67 / 180.5 / 183.0
12 OH/F4 / C4 / 125.73 / 127.68 / 122.4 / 125.0
12 OH/F4 / C5 / 139.13 / 141.11 / 135.9 / 143.6
12 OH/F4 / C1' / 121.89 / 121.89 / 118.9 / 118.5
12 OH/F4 / C2' / 154.17 / 154.35 / 151.8 / 153.1 / 151.0
12 OH/F4 / C3' / 135.69 / 135.62 / 134.7 / 132.6
12 OH/F4 / C4' / 154.64 / 154.73 / 154.1 / 155.0 / 153.1
12 OH/F4 / C5' / 110.60 / 110.50 / 111.8 / 111.9
12 OH/F4 / C6' / 124.18 / 125.06 / 118.1 / 120.9
12 OH/F4 / CF3 / 120.52 / 122.98 / 116.4 / 120.0
12 OH/F4 / F-CF3 / -77.27 / -75.06 / -77.6 / -73.8
12 OH/F4 / 2'-F / -124.07 / -122.42 / -133.5 / -126.7
12 OH/F4 / 4'-F / -139.01 / -139.02 / -127.5 / -130.2
12 OH/F2 / H2 / 5.80 / 5.91 / 6.03 / 5.95
12 OH/F2 / H4 / 6.83 / 6.97 / 6.64 / 6.56
12 OH/F2 / H5 / 7.60 / 7.74 / 7.77 / 7.72
12 OH/F2 / OH-enol / 13.70 / 14.83 / 14.20 / 9.60
12 OH/F2 / 3'-OH / 4.67 / 4.67 / 5.40 / 9.60
12 OH/F2 / H5' / 6.84 / 6.87 / 6.97 / 6.82
12 OH/F2 / H6' / 6.72 / 6.82 / 7.08 / 6.92
12 OH/F2 / C1 / 182.67 / 166.12 / 180.2 / 183.0
12 OH/F2 / C2 / 95.72 / 100.45 / 95.6 / 96.6
12 OH/F2 / C3 / 176.36 / 189.50 / 180.5 / 183.0
12 OH/F2 / C4 / 125.03 / 126.57 / 122.4 / 125.0
12 OH/F2 / C5 / 138.73 / 139.78 / 135.9 / 143.6
12 OH/F2 / C1' / 119.64 / 119.67 / 118.9 / 118.5
12 OH/F2 / C2' / 154.03 / 154.51 / 151.8 / 153.1 / 151.0
12 OH/F2 / C3' / 135.57 / 135.47 / 134.7 / 132.6
12 OH/F2 / C4' / 155.14 / 155.21 / 154.1 / 155.0 / 153.1
12 OH/F2 / C5' / 113.40 / 113.36 / 111.8 / 111.9
12 OH/F2 / C6' / 124.56 / 125.20 / 118.1 / 120.9
12 OH/F2 / CF3 / 120.52 / 120.54 / 116.4 / 120.0