Table 1 1H and 13C NMR data of 1~3.

From: Determination of the absolute configurations of the stereogenic centers of ustilaginoidins by studying the biosynthetic monomers from a gene knockout mutant of Villosiclava virens

Position

1 (CD3OD)

2 (CD3COCD3)

3 (CD3OD)

δC, type

δH, mult. (J in Hz)

δC, type

δH, mult. (J in Hz)

δC, type

δH, mult. (J in Hz)

2

74.7, CH

4.50, ddq (11.0, 3.6, 6.2)

76.4, CH

4.68, qd (6.5, 3.2)

79.5, CH

4.14, dq (10.6, 6.2)

3

44.3, CH2

2.78, dd (17.4, 11.0)

45.0, CH

2.82, qd (7.3, 3.2)

47.4, CH

2.66, dq (10.6, 7.0)

  

2.70, dd (17.4, 3.6)

    

4

199.7, C

 

203.2, C

 

201.9, C

 

4a

103.2, C

 

102.27, C

 

102.5, C

 

5

165.5, C

 

NDa

 

165.2, C

 

5a

105.2, C

 

104.8, C

 

105.2, C

 

6

160.9, C

 

160.5 C

 

160.8, C

 

7

101.0, CH

6.19, br.s

100.8, CH

6.28, d (2.1)

100.9, CH

6.18, d (2.0)

8

163.4, C

 

163.2, C

 

163.2, C

 

9

102.5, CH

6.37, d (1.6)

102.33, CH

6.53, d (2.1)

102.3, CHb

6.354, d (2.0)

9a

143.9, C

 

143.6, C

 

143.8, C

 

10

101.9, CH

6.39, s

101.5, CH

6.46, s

101.8, CHb

6.348, s

10a

156.7, C

 

155.8, C

 

156.4, C

 

2-CH3

21.2, CH3

1.46, d (6.2)

16.7, CH3

1.39, d (6.5)

20.0, CH3

1.46, d (6.2)

3-CH3

  

9.8, CH3

1.21, d (7.3)

10.4, CH3

1.22, d (7.0)

  1. aND: not detected.
  2. bAssignments within a column may be interchanged.