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. 2012 May 23;10(5):1169–1179. doi: 10.3390/md10051169

Table 2.

1H (500 MHz, CDCl3) and 13C (125 MHz, CDCl3) NMR data, 1H–1H COSY and HMBC correlations for sterol 2.

Position δΗ (J in Hz) δC,Mult. 1H–1H COSY HMBC (H→C)
1 205.8, C
2 6.15 dd (10.5, 2.5) 128.8, CH H-3 n.o.
3 6.68 ddd (10.5, 5.5, 2.5) 140.7, CH H-2, H2-4 n.o.
4a 2.48 dd (20.5, 5.5) 31.1, CH2 H-3, H-4β C-2, -3, -5, -10
4b 2.91 br d (20.5) H-3, H-4α n.o.
5 78.4, C
6 5.06 dd (12.0, 5.5) 75.1, CH H2-7 C-5, -8, acetate carbonyl
7a 1.29 m 33.8, CH2 H-6, H-7b, H-8 C-6, -8, -9
7b 2.03 m H-6, H-7a, H-8 C-9
8 1.27 m 29.2, CH H2-7, H-9, H-14 n.o.
9 1.62 m 54.3, CH H-8, H-11 C-10
10 54.3, C
11 3.91 br s 66.9, CH H-9, H2-12, OH-11 n.o.
12a 1.13, m 48.9, CH2 H-11, H-12β C-11, -13, -14, -17, -18
12b 2.24 dd (12.5, 5.0) H-11, H-12α C-11, -13, -14, -17, -18
13 43.1, C
14 1.19 m 54.9, CH H-8, H2-15 C-13, -18
15 1.57 m 23.9, CH2 H-14, H2-16 n.o.
16 1.31 m; 1.89 m 28.1, CH2 H2-15, H-17 n.o.
17 1.15 m 55.9, CH H2-16, H-20 C-13, -18
18 0.67 s 13.0, CH3 C-12, -13, -14, -17
19 1.34 s 9.8, CH3 C-1, -5, -9, -10
20 1.32 m 36.0, CH H-17, H3-21, H2-22 C-22
21 0.89 d (6.5) 18.7, CH3 H-20 C-17, -20, -22
22a 0.91 m 33.5, CH2 H-20, H-22b, H2-23 C-20, -23, -24
22b 1.37 m H-20, H-22a, H2-23 n.o.
23a 0.93 m 30.6, CH2 H2-22, H-23b, H-24 C-20, -22, -24
23b 1.36 m H2-22, H-23a, H-24 C-22
24 1.20 m 39.0, CH H2-23, H-25, H3-28 C-22
25 1.56 m 31.4, CH H-24, H3-26, H3-27 C-24, -26, -27, -28
26 0.85 d (7.0) 20.5, CH3 H-25 C-24, -25, -27
27 0.78 d (6.5) 17.6, CH3 H-25 C-24, -25, -26
28 0.77 d (6.5) 15.4, CH3 H-24 C-23, -24, -25
OH-11 1.74 d (4.0) H-11 n.o.
6-OAc   171.5, C  
2.11 s 21.2, CH3 Acetate carbonyl

n.o. = not observed.