Table 1 Comparison of NMR data: Grant and Louda (2a) vs. Revised (2b). * indicates a carbon resonance that is tentatively assigned based upon HMBC cross-peaks due to overlapping resonances.

From: Structure revision of scytonemin imine and its relationship to scytonemin chromism and cyanobacterial adaptability

no.

Grant and Louda (2a)

Revised (2b)

 

\(\delta _H\) multi.,( J in Hz)

\(\delta _C\), type

\(\delta _H\) multi.,( J in Hz)

\(\delta _C\), type

1

 

129.2, C

 

128.5, C*

2

 

193.8, C

 

192.6, C

3

 

106.0, C

 

105.3, C*

3a

 

63.5, C

 

104.8, C

N(4)-H

11.91 (broad)

 

6.86, s

NH

4a

 

135.1, C

 

149.7, C

5

7.49, d (7.8)

126.2, CH

6.52, d (7.8)

109.9, CH

6

6.48, t (7.4, 8.0)

110.6, CH

6.91, m

128.2, CH

7

6.50, t (8.0, 7.4)

118.9, CH

6.50, t (7.8)

118.1, CH

8

6.88, d (8.6)

128.6, CH

7.54, m

125.4, CH

8a

 

116.2, C

 

133.6, C

8b

 

150.6, C

 

62.2, C

9

7.36 s

136.24, CH

7.40, s

135.8, CH

10

 

136.17, C

 

124.9, C

11

8.26, d (8.2)

135.8, CH

8.29, d (8.6)

135.1, CH

12

6.86, d (8.6)

116.2, CH

6.90, m

115.6, CH

13

 

160.9, C

 

159.9, CH

14

6.86, d (8.6)

116.2, CH

6.90, m

115.6, CH

15

8.26, d (8.3)

135.8, CH

8.29, d (8.6)

135.1, CH

16 (OH)

10.20, s

 

10.15

OH

17a

3.67, d (18.0)

54.8, CH2

3.71, d (18.9)

54.0, CH2

17b

3.20, d (18.6)

54.8, CH2

3.24, d (18.9)

54.0, CH2

18

 

175.8, C

 

174.8, C

19

1.91, s

19.9, CH3

1.95, s

19.4, CH3

20/4’(N)-H

11.91, br s

 

11.94, br s

NH

1’

 

129.2, C

 

128.5, C*

2’

 

197.0, C

 

196.2, C

3’

 

132.4, C

 

133.1, C*

3’a

 

173.0, C

 

146.2, C

4’a

 

144.6, C

 

141.1, C

5’

7.21, d (8.22)

127.2, CH

7.54, d (6.9)

113.1, CH

6’

7.12, t (7.68, 7.44)

121.9, CH

7.27, t (7.8)

124.8, CH

7’

7.24, t (7.56, 7.68)

125.5, CH

7.15, t (7.5)

121.2, CH

8’

7.51, d (7.8)

113.9, CH

7.24, d (7.8)

126.6, CH

8’a

 

119.1, C

 

118.7, C*

8’b

 

150.5, C

 

123.2, C

9’

7.34, s

129.5, CH

7.38, s

129.0, CH

10’

 

126.0, C

 

125.1, CH

11’

7.72, m

131.8, CH

7.74, d (8.0)

131.3, CH

12’

6.95, d

116.9, CH

6.97, d (8.5)

116.3, CH

13’

 

160.6, C

 

159.6, C

14’

6.95, d

116.9, CH

6.97, d (8.50)

116.3, CH

15’

7.72, m

131.9, CH

7.74, d (8.0)

131.3, CH

16’ (OH)

10.30, s

 

10.23

OH