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. 2018 Feb 19;83(6):3034–3046. doi: 10.1021/acs.joc.8b00028

Table 3. 13C NMR Data for Compounds 2–9 in CDCl3 at 125 MHz (δH/δH′ in ppm).

  2 3 4 5 6 7 8c 9
1/1′ 167.9/170.1 170.3 167.4/169.0 170.5/169.9 167.6/169.5 169.5/167.4 170.3 169.6
2/2′ 116.3/114.3 114.2 116.7/115.8 113.5/114.4 116.5/115.3 114.5/116.2 114.3/113.9 114.5
3/3′ 148.6/152.2 152.4 148.5/150.5 153.1/152.1 148.7/151.1 153.9/148.3 152.2/152.1 152
4/4′ 134.1 134.6 133.6 133.7/134.5 134.7 134.1 134.4 134.2
4/4′-Me 15.7/12.4 12.4 16.2/12.7 12.1/12.4 15.8/12.6 12.5/16.1 12.5/12.4 12.5
5/5′ 135.0/140.6 140.8 134.8/137.9 142.7/140.3 134.1/138.5 140/134 141/134 140.3
6/6′ 33.0/33.1 33.2 33.3/33.4 33.6/33.2 33 33.6/33.2 33.6/33.3 36.7
7/7′ 77.4b/77.7b 76.6b 76.7b 78.6/76.6 77.0/75.7 77.2b/76.7b 76.0/76.3 69.8
8/8′ 39.5/39.6 39.8 39.1 39.8/39.7 39.6/39.3 39.5/39.1 39.8/39.7 40.7a
9/9′ 69.5 69.6 69.2/68.6 68.9/69.2 69.0/69.6 69.4/69.7 69.6 72.6
10/10′ 129.7a/129.6a 129.8 129.6a/129.5a 129.7/129.8 129.6 129.5/129.6 129.8 129.4
11/11′ 123.8a/123.7a 123.5 124.0/123.2 123.4/123.7 124.0/123.8 123.9/123.6 123.6 124.2
12/12′ 31.5a/31.4a 31.6 31.4/31.3 31.5 31.3/31.2 31.4 31.4/31.6 31.3
13/13′ 64.1/63.8 63.6 64.4/64.3 63.5/64.1 64.4/64.3 64.5 63.7/63.5 64.5
14/14′ 36.2/35.9 36.9 36.1/35.7 36.2/36.7 35.7/35.6 36.1/35.9 36.9/36.8 35.9
15/15′ 77.2b 76 78.0b 75.7/75.4 77.0b 77.0b 75.8/76.0 77.6b
15/15′-OMe 57.1a/57.2a 57.5 57.1 57.6/57.5 57.2/57.1 57.3/56.9 57.5 57.2
16/16′ 41.5 41.5 41.0/41.2 41.6 40.9/40.5 40.8/40.6 41.5/41.4 40.5a
16/16′-Me 9.9a/9.6a 9.3 10.0/10.2 9.2/9.0 10.2/9.9 9.9 9.4/9.3 9.8
17/17′ 73.9/73.6 74 73.8/74.2 73.6/73.8 74.3/74.2 74.3/74.1 74.0/74.1 75
18/18′ 40.9/41.2 40.8 41.7 40.9/40.6 41.7/41.4 41.7/41.5 40.8 40.8a
19/19′ 69.3/68.8 69.9 69.5 70.0/69.4 69 69.8/68.3 69.8 69.2
20/20′ 41.1/41.5 42.2 41.9/42.1 42.4 41.8 42.1 42.1/42.0 41.7
21/21′ 71.1/71.4 70.6 71.1/70.7 70.3/70.5 71.3/70.8 70.9/71.3 70.7/70.6 70.4
22/22′ 41.1/40.9 40.8 40.5 41.2/40.9 41.1/40.9 41.3/40.9 40.8/40.7 40.9a
22/22′-Me 10.0/10.2 10.1 10.3/10.5 9.9/10.1 10.3 10.3/10.2 10.3/10.2 10.2
23/23′ 76.6/76.1 76.3 76.5 76.1/76.5 76.7 76.3 76.8b 76.6b
24/24′ 33.5 33.2 33.0/32.8 33.4/33.0 33.4 33 33.2/33.3 33.3
24/24′-Me 17.6a /17.5a 17.4 17.7/17.6 17.5 17.6 17.6 17.5/17.4 17.7
25/25′ 24.0a /23.8a 23.9 24.2/23.9 23.6/24.0 24 24.2/23.6 24 24.2
26/26′ 29.4/29.3 29.4 29.8/29.3 29.8 29.3 29.3/29.2 29.4/29.5 29.4
27/27′ 71.6/71.5 71 71.7 71.4/71.3 71.5 71.5/71.7 71.1/71.0 71.6
28/28′ 35.1 35 35 35.1/35.0 35 35 35 35
29/29′ 73.4 73.4 73.4 73.4 73.4 73.4 73.4 73.4
29/29′-OMe 55.4 55.4 55.4 55.4 55.4 55.4 55.5 55.5
30/30′ 38.9 38.7 38.9 38.8 38.9 38.9 38.7 38.8
31/31′ 64.8 64.9 64.7 64.8/64.9 64.7 64.7 64.9 64.8
31/31′-Me 22.0a/21.9a 22 22 21.9/22.0 22 21.9 21.9 22
32/32′ 100.7/101.2 103.3 101.9/102.6 101.4/102.9 100.4/102.1 100.8/102.5 103.2/102.9  
33/33′ 73.4 73.4 73.4 73.0/73.3 73.4/72.9 73.4/73.0 73.1/72.1  
34/34′ 82.1/82.4 83.5 83.4/83.5 82.1/83.3 82.0/83.5 82.4/83.6 83.2/83.3  
34/34′-OMe 60.2a/60.1a 60.2 60.3/60.2 60.1 60.2/60.3 60.2/60.1 60.1/59.8  
35/35′ 79.0/79.3 79.4 79.0/79.3 79.2 79.1 79.3 79.3/68.9  
35/35′-OMe 58.6a/58.7a 58.6 58.5 58.5 58.7a/58.5a 58.6a/58.5a 58.5/–  
36/36′ 62.7 62.5 62.6 62.2/62.5 62.6 62.7 62.5/64.2  
37/37′ 171.4/170.9     170.5/– 171.5/– 170.8/–    
38/38′ 72.5/72.4     72.6/– 72.4/– 72.4/–    
39/39′ 64.4/64.5     64.6/– 64.3/– 64.5/–    
a

Could be exchanged.

b

Overlapped with CDCl3, assigned using HMBC, HSQC, and HSQC-TOCSY.

c

The data at the same carbon atom position could be exchanged.