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. 2021 Jan 5;4(1):179–192. doi: 10.1021/acsptsci.0c00166

Table 2. NMR Spectroscopic Data (400 MHz, D2O) of α- and β-Oleoglycinea.

  β-Oleoglycine (3a)
α-Oleoglycine (3b)
position δC, type δΗ (J in Hz) δC, type δΗ (J in Hz)
2 82.9, CH 5.32, dd (10.3, 3.7) 84.0, CH 5.23, dd (3.4, 1.8)
3 35.0, CH2 1.87, ddd (14.8, 10.3, 4.0) 35.0, CH2 2.02 overlapped
2.14, dt (14.8, 3.4)  
4 30.1, CH 3.35, br m 27.9, CH 3.35, br m
5 135.3, C   135.8, C  
6 173.9, CH 8.22, s 173.8, CH 8.29, s
7 165.5, CH 7.08, q (7.1) 167.1, CH 7.19, q (7.1)
8 18.8, CH3 1.99, d (7.1) 19.1, CH3 2.02, d (7.1)
9 39.8, CH2 2.80, dd (overlapped) 39.8, CH2 2.80, dd (overlapped)
2.52, dd (overlapped) 2.52, dd (overlapped)
10 176.3, C   176.3, C  
11 59.0, CH2 4.33, d (16.1, overlapped) 61.4, CH2 4.40, d (16.1, overlapped)
  4.55, d (16.1)   4.53, d (16.1)
12 174.1, C   174.1, C  
1′ 133.4, C   133.4, C  
2′ 133.3, CH 7.17, d (8.3) 133.3, CH 7.17, d (8.3)
3′ 118.3, CH 6.83, d (8.3) 118.3, CH 6.83, d (8.3)
4′ 157.0, C   157.0, C  
5′ 118.3, CH 6.83, d (8.3) 118.3, CH 6.83, d (8.3)
6′ 133.3, CH 7.17, d (8.3) 133.3, CH 7.17, d (8.3)
7′ 36.1, CH2 2.89, t (6.0) 36.1, CH2 2.89, t (6.0)
8′ 69.1, CH2 4.35, m, overlapped 69.1, CH2 4.35, m, overlapped
a

13C data were obtained indirectly from the 2D spectra.