Table 1.
C/H No. | δC, mult.a | δH (J in Hz) | COSY | HMBCb |
---|---|---|---|---|
OH | 10.18, br | |||
1 | 180.7, s | |||
2 | 34.5, t | 2.42, t (7.5) | H-3a, H-3b | 1, 3, 4 |
3a | 29.6, t | 1.56, m | H2-2, H-4 | 1, 2, 4, 6 |
3b | 1.52, m | H2-2, H-4 | 1, 2, 4, 5, 6 | |
4 | 18.3, d | 0.45, m | H2-5, H-3a, H-3b | 5,c 7c |
5 | 12.0, t | 0.21, m (2H) | H-4, H-6 | 3, 4, 6, 7 |
6 | 19.2, d | 0.45, m | H2-5, H-7a, H-7b | 5,c 7c |
7a | 34.3, t | 1.21, m | H-6, H-7b, H2-8 | 4, 5, 6, 8 |
7b | 1.13, m | H-6, H-7a, H2-8 | 4, 5, 6, 8 | |
8 | 29.8, t | 1.33, m | H-7a, H-7b, H2-9 | 6, 7 |
9 | 29.7,d t | 1.25, m | H2-8 | 7 |
10 | 29.5,d t | 1.25, m | 12 | |
11 | 32.1, t | 1.25, m | 12 | |
12 | 22.2, t | 1.27, m | H2-11, H3-13 | 11, 13 |
13 | 14.0, q | 0.88, t (7.0) | H2-12 | 11, 12 |
Multiplicity is derived from APT and HSQC spectra.
Protons showing long-range correlation to indicated carbon.
It could not be distinguished which proton shows HMBC correlations to C-5 and C-7.
Assignment of these carbons is interchangeable.