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. 2020 Feb 18;83(2):316–322. doi: 10.1021/acs.jnatprod.9b00721

Table 1. NMR Spectroscopic Data (1H at 800 MHz, 13C at 200 MHz, CDCl3) of Gracidiol (1).

position δC, type δH J (Hz) HMBC, H→C
1 66.3, H2C–O 4.69 dd (11.8, 2.8) C-7″
    4.47 dd (11.8, 7.8) C-2, C-3, C-7″
2 73.6, HC–O 3.96 dd (7.8, 2.8) C-1, C-3, C-4, CH3-3
OH-2/3   3.49 s  
3 73.4, C–O      
CH3-3 20.0, CH3 1.34 s C-2, C-4
4 68.9, H2C–O 4.48 d (11.5) C-2, C-3, CH3-3, C-9′
    4.20 d (11.5) C-2, C-3, CH3-3, C-9′
1′ 134.2, C      
2′/6′ 128.4, CH 7.54 m C-3′/5′, C-4′, C-7′
3′/5′ 129.1/130.8, CH 7.39–7.40a m C-1′, C-2′/6′
4′ 130.8/129.1, CH 7.39–7.40a m C-2′/6′
7′ 146.4, CH 7.75 d (16.0) C-1′, C-2′/6′, C-8′, C-9′
8′ 117.2, CH 6.47 d (16.0) C-1′, C-7′, C-9′
9′ 167.6, C=O      
1″ 134.2, C      
2″/6″ 129.9, CH 8.05 m C-4″, C-7″
3″/5″ 128.6, CH 7.45 m C-2″/6″, C-4″
4″ 133.4, CH 7.56 m C-2″/6″
7″ 167.3, C=O      
a

Overlapping signals.