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. 2022 Sep 19;85(10):2395–2398. doi: 10.1021/acs.jnatprod.2c00602

Table 2. NMR Data for Crannenols B, C, and D (2, 3, and 4)a.

  crannenol B (2)
crannenol C (3)
crannenol D (4)
pos δC,b type δHc (J in Hz) δC,b type δHc (J in Hz) δC,b type δHc (J in Hz)
1 63.2, CH2 4.58, s 60.2, CH2 4.71, s 58.5, CH2 4.18, s
2 129.8, C   133.7, C   133.7, C  
3 130.5, CH 5.38, t 133.3, CH 5.68, t,(7.5) 133.9, CH 5.64, t (7.5)
4 26.3, CH2 2.17, q (7.99) 26.0, CH2 2.25, q (7.5) 26.0, CH2 2.24, q (7.5)
5 39.5, CH2 2.02, t (7.81) 39.1, CH2 2.06, t 39.1, CH2 2.06, t (7.5)
6 134.9, C   134.5, C   134.6, C  
7 122.9, CH 5.12, m 123.3, CH 5.13, t 123.4, CH 5.13, t
8 26.2, CH2 2.87, t (7.27) 26.3, CH2 2.87, t (7.3) 26.3, CH2 2.87, t (7.3)
9 129.5, CH 5.35, t 129.4, CH 5.35, t (7.6) 129.3, CH 5.34, t (7.5)
10 132.0, C   132.2, C   132.2, C  
11 133.6, CH 6.81, q (17.4, 10.2) 133.6, CH 6.80, dd (17.4, 10.8) 133.5, CH 6.80, dd (18.2, 10.9)
12 113.5, CH2 5.11, d (10.9) 113.7, CH2 5.11, d (10.9) 113.7, CH2 5.11, d (10.9)
5.21, d (17.1)   5.22, d (16.7)   5.22, d (17.1)
13 16.0, CH3 1.64, s 16.0, CH3 1.65, s 16.1, CH3 1.64, s
14 19.7, CH3 1.83, s 19.7, CH2 1.82, s 19.7, CH2 1.82, s
15 21.4, CH3 1.75, s 65.9, CH2 4.10, s 67.3, CH2 4.64, s
1′ 171.2,d C   171.4, C   171.4, C  
2′ 21.0, CH3 2.08, s 21.0, CH3 2.08, s 21.0, CH3 2.09, s
a

CDCl3, ppm, multiplicity determined by HSQC.

b

150 MHz.

c

600 MHz.

d

Chemical shift confirmed by HMBC.