Table 1.
Position | δC (mult.) a | δH (mult., J in Hz) | HMBC (H→C) b |
---|---|---|---|
1 | 67.7 CH2 | 3.78, dd (10.8, 4.2) 3.73, dd (10.8, 6.6) | H-2, H2-3, H-1′ |
2 | 69.3 CH | 5.17, quin (5.4) | H2-1, H2-3 |
3 | 67.1 CH2 | 3.57, dd (10.8, 5.4) 3.54, dd (10.8, 4.8) | H2-1, H-2, H2-1′′′, H2-2′′′ |
1′ | 80.3 CH | 3.66, t (6.0) | H2-1, H-2′, H-3′, H-4′, H-5′ |
2′ | 71.4 CH | 3.93, t (6.0) | H-1′, H-3′, H-4′, H-5′ |
3′ | 78.5 CH | 3.84, t (6.0) | H-1′, H-2′, H-4′, H-5′ |
4′ | 77.0 CH | 3.69, t (7.2) | H-1′, H-2′, H-3′, H-5′ |
5′ | 77.2 CH | 3.90, t (6.6) | H-1′, H-2′, H-3′, H-4′ |
1″ | 172.1 qC | - | H-2, H-1′, H2-2″, H2-3″ |
2″ | 32.5 CH2 | 2.33, t (7.8) | H2-3″ |
3″ | 23.0 CH2 | 1.60, quin (7.2) | H2-2″ |
4″–11″ | 20.8–35.1 CH2 | 1.25, m | |
12″ | 35.2 CH2 | 1.06, m | H2-11″, H-13″, H3-16″ |
13″ | 30.8 CH | 1.35, m | H2-12″, H3-15″, H3-16″ |
14″ | 30.0 CH2 | 1.25, m | H-13″, H3-15″, H3-16″ |
15″ | 12.2 CH3 | 0.88, t (6.6) | H-13″, H2-14″ |
16″ | 17.7 CH3 | 0.83, d (6.6) | H2-12″, H-13″, H2-14″ |
1′′′ | 70.0 CH2 | 3.45, dd (6.6, 2.4) 3.41, dd (6.6, 2.4) | H2-3′′′, H2-2′′′ |
2′′′ | 27.8 CH2 | 1.53, quin (7.2) | H2-1′′′, H2-3′′′ |
3′′′–12′′′ | 20.8–35.1 CH2 | 1.25, m | |
13′′′ | 37.1 CH2 | 1.15, m | H2-12′′′, H3-15′′′, H3-16′′′ |
14′′′ | 26.0 CH | 1.50, m | H2-13′′′, H3-15′′′, H3-16′′′ |
15′′′ | 20.7 CH3 | 0.85, d (6.6) | H2-12′′′, H2-13′′′, H-14′′′, H3-16′′′ |
16′′′ | 20.7 CH3 | 0.85, d (6.6) | H2-12′′′, H2-13′′′, H-14′′′, H3-15′′′ |
a multiplicities were deduced from DEPT and multiplicity-edited HSQC; b HMBC correlations are from proton(s) stated to the indicated carbons.