Table 1 NMR data of 1 and 2 in CD3OD

From: A pair of sulfur-containing geldanamycin analogs, 19-S-methylgeldanamycin and 4,5-dihydro- 19-S-methylgeldanamycin, from Streptomyces hygroscopicus 17997

 

1

2

Position

δ C

δ H

δ C

δ H

 1

175.9

—

176.3

—

 2

140.1

—

135.7

—

 3

125.4

6.39 (1H)

135.1

5.70 (1H)

 4

130.0

6.41 (1H)

24.3

1.99 (1H)

    

2.25 (1H)

 5

131.7

5.26 (1H)

31.4

1.17 (1H)

    

1.21 (1H)

 6

76.8

3.99 (1H)

81.0

3.06 (1H)

 7

82.8

4.89 (1H)

82.1

4.93 (1H)

 8

130.0

—

130.8

—

 9

136.0

5.20 (H)

134.1

5.12 (1H)

10

36.5

2.24 (1H)

36.2

2.29 (1H)

11

73.4

3.54 (1H)

73.9

3.59 (1H)

12

81.2

2.87 (1H)

81.4

3.21 (1H)

13

32.3

0.72 (1H)

33.2

0.80 (1H)

  

1.57 (1H)

 

1.66 (1H)

14

30.4

2.08 (1H)

30.6

2.05 (1H)

15

30.6

2.43 (1H)

30.4

2.38 (1H)

  

2.56 (1H)

 

2.64 (1H)

16

130.4

—

130.4

—

17

158.9

—

159.2

—

18

180.7

—

180.7

—

19

130.7

—

132.0

—

20

136.0

—

130.8

—

21

182.9

—

183.0

—

22 (2-CH3)

14.3

1.89 (3H)

13.7

1.72 (3H)

23 (6-OCH3)

56.7

3.09 (3H)

56.9

3.29 (3H)

24 (7-OCONH2)

159.1

—

159.0

—

25 (8-CH3)

13.0

1.37 (3H)

12.7

1.40 (3H)

26 (10-CH3)

18.8

0.94 (3H)

18.2

0.98 (3H)

27 (12-OCH3)

56.6

3.25 (3H)

59.4

3.39 (3H)

28 (14-CH3)

19.5

0.57 (3H)

18.5

0.53 (3H)

29 (17-OCH3)

61.7

3.98 (3H)

61.6

3.97 (3H)

30 (19-SCH3)

16.9

2.58 (3H)

16.9

2.51 (3H)

  1. 1H- and 13C-NMR spectra were obtained at 500 and 100 MHz, respectively, on INOVA-501 with TMS as internal standard, and measured in CD3OD at room temperature.
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