TABLE 1.
NMR data for serrawettin W2 in dimethyl sulfoxide-d6
| Residue and position(s) | δcf | δH(JH,H, Hz) |
|---|---|---|
| d-Leu (1) | ||
| NH | 7.82 (8.8) | |
| Cα | —a | |
| Cβ | 24.8 | —d |
| Cγ | 23.4 | 1.64 m |
| Cδ | —c | |
| Cδ | —c | |
| l-Ser (2) | ||
| NH | 8.08 (8.2) | |
| Cα | —a | |
| Cβ | 61.3 | 3.63 (11.0, 6.4), 3.56 (11.0, 6.8) |
| l-Thr (3) | ||
| NH | 8.03 (8.2) | |
| Cα | 58.5 | 4.11 (8.4, 2.9) |
| Cβ | 65.4 | 4.24 m |
| Cγ | 20.2 | 0.97 (6.4) |
| d-Phe (4)e | ||
| NH | 7.46 (7.0) | |
| Cα | —a | |
| Cβ | 37.2 | 3.14 (13.7, 4.5), 2.89 (13.7, 7.2) |
| l-Ile (5) | ||
| NH | 8.49 (6.4) | |
| Cα | 57.6 | 3.76 (8.2, 6.8) |
| Cβ | 34.7 | 1.77 m |
| Cγ | 40.4 | —d |
| Cδ | —c | |
| Cδ | —c | |
| 3-Hydroxy-decanoyl | ||
| C-2 | 39.0 | 2.64 (14.5, 3.0), 2.36 (14.5, 5.9) |
| C-3 | 71.8 | 4.92b m |
| C-4 | 31.1 | 1.53 br m |
| C-5–C-9 | 1.23 br | |
| C-10 | —c |
—, the α protons of Phe, Ser, and Leu appear at δ 4.48 to 4.32 as an unresolved multiplet (m).
Partly obscured by the water resonance at δ 4.83 br.
—, five unresolved methyl resonances appear at δ 0.86 to 0.78.
—, the Leuβ and Ileγ protons appear as overlapping multiplets at δ 1.45 to 1.34, and the Leuβ′ and Ileγ′ protons appear as overlapping multiplets at δ 1.18 to 1.09.
The aromatic protons appear as an unresolved multiplet at δ 7.16 to 7.05, and the aromatic carbons appear at δ C2′, 6′, 3′ and 5′ 128.1, 129.1; C1′ 126.5; and C4′ 136.8
The six carbonyl carbon signals appear at δ 172.1, 171.3, 170.6, 170.6, 169.5, and 168.8.