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Table 2 1H (400 MHz) and 13C (100 MHz) NMR data of 2 in DMSO-d6a

From: Genomics-driven discovery of a biosynthetic gene cluster required for the synthesis of BII-Rafflesfungin from the fungus Phoma sp. F3723

AA Position Mult δC δH (J in Hz)
L-Ala 1 CO 172.6
2 CH 48.4 4.22 m
3 CH3 17.8 1.20 d (7.1)
  NH 7.89 br d (6.9)
L-Glu 1 CO 171.3
2 CH 52.5 4.19 m
3 CH2 26.7 1.75 m, 1.93 m
4 CH2 30.3 2.22 m, 2.22 m
5 COOH 174.4
  NH 8.18 d (7.2)
L-Asn 1 CO 171.1
2 CH 49.6 4.50 dt (7.4, 5.6)
3 CH2 36.8 2.65 dd (15.5, 5.6), 2.73dd (15.5, 5.6)
4 CONH2 172.3
  NH 8.12 br d (7.4)
  CONH2 7.03 br s, 7.54br s
L-Ser 1 CO 170.2a  
2 CH 57.0 4.11 q (5.4)
3 CH2 60.9 3.68 m, 3.68 m
  NH 8.15 br s
L-Ser 1 CO 170.1a  
2 CH 56.3 4.27 m
3 CH2 61.2 3.64 m, 3.64 m
  NH 8.21 br s
L-Ser 1 CO 170.1a
2 CH 55.1 4.36 dt (7.8, 5.6)
3 CH2 61.8 3.65 m, 3.65 m
  NH 7.75br d (7.8)
D-allo-Thr 1 CO 170.0a
2 CH 58.4 4.25 m
3 CH 66.5 3.93 m
4 CH3 19.6 1.07 d (6.3)
  NH 7.93br d (8.8)
Gly 1 CO 168.8
2 CH2 40.9 3.78dd (17.3, 5.5), 3.87dd (17.3, 5.5)
  NH 7.96br t (5.5)
HMHDA 1 CO 169.4
2 CH2 36.9 2.32 m, 2.35 m
3 CH 75.4 5.04 m
4 CH 35.8 1.71 m
5 CH2 31.7 1.03 m, 1.33 m
6 CH2 26.4 1.22 m, 1.31 m
7–13 CH2 28.7–29.2 1.22 m–1.28 m
14 CH2 31.3 1.24 m, 1.24 m
15 CH2 22.1 1.24 m, 1.29 m
16 CH3 13.9 0.86 t (6.6)
17 CH3 14.6 0.83 d (6.6)
  1. aAssignments based on COSY, HSQCED and HMBC. 1H (400 MHz) and 13C NMR (100 MHz) data were referenced to DMSO-d6Η 2.49 and δC 39.50). Chemical shifts (δ) in ppm. s: singlet; d: doublet. q: quartet; m: multiplet; br: broad; Chemical shifts (δ) in ppm. bAssignments are interchangeable