1H (600 MHz) and 13C (150 MHz) NMR spectroscopic data for 1 (DMSO–d6, 298 K).
| No. . | δH, mult. (J in Hz) . | δC, type . | COSY . | HMBC . |
|---|---|---|---|---|
| Adenosine moiety | ||||
| 1 | – | 156.2, C | – | – |
| 3 | 8.13 (s) | 152.4, CH | – | C–7a, C–4a, C–1 |
| 4a | – | 149.0, C | – | – |
| 6 | 8.35 (s) | 140.0, CH | – | C–1′ |
| 7a | – | 119.4, C | – | – |
| 8–NH | 7.34 (brs) | – | – | – |
| 1′ | 5.87 (d, 6.5) | 87.9, CH | H–2′ | C–6, C–2′, C–3′, C–4′, C–4a |
| 2′ | 4.60 (t, 5.5) | 73.5, CH | H–3′ | C–1′, C–4′ |
| 3′ | 4.14 (dd, 3.1, 3.3) | 70.7, CH | H–4′ | C–1′, C–4′, C–5′ |
| 4′ | 3.96 (dd, 3.1, 4.4) | 85.6, CH | H–5′ | C–1′, C–5′ |
| 5′ | 3.68 (dd, 3.7, 12.1) 3.53 (dd, 3.7, 12.1) | 61.7, CH2 | H–5′ | C–3′ |
| 2-Hydroxy-3-phenylpropanamide moiety | ||||
| 9 | – | 169.9, CO | – | – |
| 10 | 3.40 (obscured) | 55.6, CH | H–11 | C–9, C–11 |
| 11 | 3.15 (dd, 4.8, 14.7) 2.84 (dd, 8.4, 14.4) | 37.0, CH2 | H–11 | C–9, C–10, C–13/17 |
| 12 | – | 137.7, C | – | – |
| 13/17 | 7.21 | 126.3, | H–14, | C–15, C–12, C–11 |
| 14/16 | 7.29 | 128.4 | H–13, H–15 | C–12, C–15 |
| 15 | 7.26 | 129.3 | H–14, H–16 | C–14, C–16 |
| No. . | δH, mult. (J in Hz) . | δC, type . | COSY . | HMBC . |
|---|---|---|---|---|
| Adenosine moiety | ||||
| 1 | – | 156.2, C | – | – |
| 3 | 8.13 (s) | 152.4, CH | – | C–7a, C–4a, C–1 |
| 4a | – | 149.0, C | – | – |
| 6 | 8.35 (s) | 140.0, CH | – | C–1′ |
| 7a | – | 119.4, C | – | – |
| 8–NH | 7.34 (brs) | – | – | – |
| 1′ | 5.87 (d, 6.5) | 87.9, CH | H–2′ | C–6, C–2′, C–3′, C–4′, C–4a |
| 2′ | 4.60 (t, 5.5) | 73.5, CH | H–3′ | C–1′, C–4′ |
| 3′ | 4.14 (dd, 3.1, 3.3) | 70.7, CH | H–4′ | C–1′, C–4′, C–5′ |
| 4′ | 3.96 (dd, 3.1, 4.4) | 85.6, CH | H–5′ | C–1′, C–5′ |
| 5′ | 3.68 (dd, 3.7, 12.1) 3.53 (dd, 3.7, 12.1) | 61.7, CH2 | H–5′ | C–3′ |
| 2-Hydroxy-3-phenylpropanamide moiety | ||||
| 9 | – | 169.9, CO | – | – |
| 10 | 3.40 (obscured) | 55.6, CH | H–11 | C–9, C–11 |
| 11 | 3.15 (dd, 4.8, 14.7) 2.84 (dd, 8.4, 14.4) | 37.0, CH2 | H–11 | C–9, C–10, C–13/17 |
| 12 | – | 137.7, C | – | – |
| 13/17 | 7.21 | 126.3, | H–14, | C–15, C–12, C–11 |
| 14/16 | 7.29 | 128.4 | H–13, H–15 | C–12, C–15 |
| 15 | 7.26 | 129.3 | H–14, H–16 | C–14, C–16 |
1H (600 MHz) and 13C (150 MHz) NMR spectroscopic data for 1 (DMSO–d6, 298 K).
| No. . | δH, mult. (J in Hz) . | δC, type . | COSY . | HMBC . |
|---|---|---|---|---|
| Adenosine moiety | ||||
| 1 | – | 156.2, C | – | – |
| 3 | 8.13 (s) | 152.4, CH | – | C–7a, C–4a, C–1 |
| 4a | – | 149.0, C | – | – |
| 6 | 8.35 (s) | 140.0, CH | – | C–1′ |
| 7a | – | 119.4, C | – | – |
| 8–NH | 7.34 (brs) | – | – | – |
| 1′ | 5.87 (d, 6.5) | 87.9, CH | H–2′ | C–6, C–2′, C–3′, C–4′, C–4a |
| 2′ | 4.60 (t, 5.5) | 73.5, CH | H–3′ | C–1′, C–4′ |
| 3′ | 4.14 (dd, 3.1, 3.3) | 70.7, CH | H–4′ | C–1′, C–4′, C–5′ |
| 4′ | 3.96 (dd, 3.1, 4.4) | 85.6, CH | H–5′ | C–1′, C–5′ |
| 5′ | 3.68 (dd, 3.7, 12.1) 3.53 (dd, 3.7, 12.1) | 61.7, CH2 | H–5′ | C–3′ |
| 2-Hydroxy-3-phenylpropanamide moiety | ||||
| 9 | – | 169.9, CO | – | – |
| 10 | 3.40 (obscured) | 55.6, CH | H–11 | C–9, C–11 |
| 11 | 3.15 (dd, 4.8, 14.7) 2.84 (dd, 8.4, 14.4) | 37.0, CH2 | H–11 | C–9, C–10, C–13/17 |
| 12 | – | 137.7, C | – | – |
| 13/17 | 7.21 | 126.3, | H–14, | C–15, C–12, C–11 |
| 14/16 | 7.29 | 128.4 | H–13, H–15 | C–12, C–15 |
| 15 | 7.26 | 129.3 | H–14, H–16 | C–14, C–16 |
| No. . | δH, mult. (J in Hz) . | δC, type . | COSY . | HMBC . |
|---|---|---|---|---|
| Adenosine moiety | ||||
| 1 | – | 156.2, C | – | – |
| 3 | 8.13 (s) | 152.4, CH | – | C–7a, C–4a, C–1 |
| 4a | – | 149.0, C | – | – |
| 6 | 8.35 (s) | 140.0, CH | – | C–1′ |
| 7a | – | 119.4, C | – | – |
| 8–NH | 7.34 (brs) | – | – | – |
| 1′ | 5.87 (d, 6.5) | 87.9, CH | H–2′ | C–6, C–2′, C–3′, C–4′, C–4a |
| 2′ | 4.60 (t, 5.5) | 73.5, CH | H–3′ | C–1′, C–4′ |
| 3′ | 4.14 (dd, 3.1, 3.3) | 70.7, CH | H–4′ | C–1′, C–4′, C–5′ |
| 4′ | 3.96 (dd, 3.1, 4.4) | 85.6, CH | H–5′ | C–1′, C–5′ |
| 5′ | 3.68 (dd, 3.7, 12.1) 3.53 (dd, 3.7, 12.1) | 61.7, CH2 | H–5′ | C–3′ |
| 2-Hydroxy-3-phenylpropanamide moiety | ||||
| 9 | – | 169.9, CO | – | – |
| 10 | 3.40 (obscured) | 55.6, CH | H–11 | C–9, C–11 |
| 11 | 3.15 (dd, 4.8, 14.7) 2.84 (dd, 8.4, 14.4) | 37.0, CH2 | H–11 | C–9, C–10, C–13/17 |
| 12 | – | 137.7, C | – | – |
| 13/17 | 7.21 | 126.3, | H–14, | C–15, C–12, C–11 |
| 14/16 | 7.29 | 128.4 | H–13, H–15 | C–12, C–15 |
| 15 | 7.26 | 129.3 | H–14, H–16 | C–14, C–16 |
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