Table 3. 1H (500 MHz) and 13C (125 MHz) NMR data for citreohybriddional (1) in C6D6.
| Δ13 | δH, mult (J = Hz) | HMBC | NOESY | |
| 1 | 27.4, CH2 | α 2.21, dt (J = 12.2, 3.2) β 1.47, m |
H-11 H-11 |
|
| 2 | 24.3, CH2 | β 1.65, m, α 1.55, m |
H-1β |
H-25 |
| 3 | 76.9, CH | 4.73, bt (J = 2.7) | H-24, H-25 | H-2α, H-2β, H-24, H-25 |
| 4 | 37.8, C | H-24, H-25 | ||
| 5 | 46.8, CH | 1.90, m | H-24, H-25 | |
| 6 | 17.0, CH2 | α 1.90, m β 1.49, m |
H-5, H-7α | |
| 7 | 33.6, CH2 | α 3.11, m β 2.08, dm (J = 13.6) |
H-22 | H-6α, H-6β |
| 8 | 40.4, C | H-11, H-22 | ||
| 9 | 148.4, C | H-22 | ||
| 10 | 55.6, C | H-11, H-23 | ||
| 11 | 126.8, CH | 5.53, s | H-21 | H-1α, H-1β, H-21 |
| 12 | 76.5, C | H-11, H-20, H-21 | ||
| 13 | 53.6, C | H-11, H-20, H-21 | ||
| 14 | 72.4, C | H-20, H-22 | ||
| 15 | 202.6, C | H-18 | ||
| 16 | 75.5, C | H-18 | ||
| 17 | 202.9, C | H-18, H-20 | ||
| 18 | 8.3, CH3 | 1.36, s | ||
| 19 | 168.3, C | H-28 | ||
| 20 | 10.8, CH3 | 1.14, s | H-21, H-22 | |
| 21 | 24.5, CH3 | 0.99, s | H-11 | H-20 |
| 22 | 26.8, CH3 | 1.39, s | H-20, H-23 | |
| 23 | 201.2, CH | 9.80, s | H-5 | H-22, H-25 |
| 24 | 27.2, CH3 | 0.80, s | H-3, H-25 | H-3 |
| 25 | 21.9, CH3 | 0.65, s | H-24 | H-3, H-23 |
| 26 | 170.0, C | H-27 | ||
| 27 | 20.8, CH3 | 1.53, s | H-3 | |
| 28 | 52.0, CH3 | 3.00, s |
All assignments are based on COSY, HSQC and HMBC experiments, J is in Hz.