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. 2023 Dec 18;9(4):757–779. doi: 10.3934/microbiol.2023039

Table 3. 1H (500 MHz) and 13C (125 MHz) NMR data for citreohybriddional (1) in C6D6.

Δ13 δH, mult (J = Hz) HMBC NOESY
1 27.4, CH2 α 2.21, dt (J = 12.2, 3.2)
β 1.47, m
H-11
H-11
2 24.3, CH2 β 1.65, m,
α 1.55, m
H-1β
H-25
3 76.9, CH 4.73, bt (J = 2.7) H-24, H-25 H-2α, H-2β, H-24, H-25
4 37.8, C H-24, H-25
5 46.8, CH 1.90, m H-24, H-25
6 17.0, CH2 α 1.90, m
β 1.49, m
H-5, H-7α
7 33.6, CH2 α 3.11, m
β 2.08, dm (J = 13.6)
H-22 H-6α, H-6β
8 40.4, C H-11, H-22
9 148.4, C H-22
10 55.6, C H-11, H-23
11 126.8, CH 5.53, s H-21 H-1α, H-1β, H-21
12 76.5, C H-11, H-20, H-21
13 53.6, C H-11, H-20, H-21
14 72.4, C H-20, H-22
15 202.6, C H-18
16 75.5, C H-18
17 202.9, C H-18, H-20
18 8.3, CH3 1.36, s
19 168.3, C H-28
20 10.8, CH3 1.14, s H-21, H-22
21 24.5, CH3 0.99, s H-11 H-20
22 26.8, CH3 1.39, s H-20, H-23
23 201.2, CH 9.80, s H-5 H-22, H-25
24 27.2, CH3 0.80, s H-3, H-25 H-3
25 21.9, CH3 0.65, s H-24 H-3, H-23
26 170.0, C H-27
27 20.8, CH3 1.53, s H-3
28 52.0, CH3 3.00, s

All assignments are based on COSY, HSQC and HMBC experiments, J is in Hz.