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. 2016 Aug 18;14(8):155. doi: 10.3390/md14080155

Table 1.

NMR data of compound 1 (CDCl3, 600 & 150 MHz).

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.