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. Author manuscript; available in PMC: 2018 Nov 11.
Published in final edited form as: Drug Test Anal. 2017 May 10;9(10):1641–1649. doi: 10.1002/dta.2196

Table 1.

1H and 13C NMR data for ETH-LAD hemitartrate in d6-DMSO at 400 / 150 MHz

graphic file with name nihms916736u1.jpg

No. 13C [δ / ppm] 1H [δ / ppm]

1 10.75 (s, 1H)
2 119.88 7.05 (t, J = 2.0 Hz, 1H) a
3 109.17
4 26.88 3.54–3.47 (m, 4β -H, 1H) b
2.60–2.51 (m, 4α-H, 1H) c
5 59.59 3.47–3.41 (m, H-5β, 1H) d
6
7 51.44 3.11 (dd, J = 10.8, 4.6 Hz, H-7α) e
2.84–2.67 (m, H-7β, 1H) f
8 39.22 3.83–3.71 (m, H-8α, 1H)
9 120.64 6.24 (s, 1H)
10 135.88
11 127.85
12 111.58 7.02 (dd, J = 7.2, 0.8 Hz, 1H) g
13 122.79 7.07 (t, J = 7.3 Hz, 1H) h
14 110.39 7.20 (dd, J = 7.2, 0.8 Hz, 1H)
15 134.28
16 126.31
17 47.62 3.09–3.01 (m, 1H) i
47.62 2.84–2.67 (m, 1H) j
18 10.37 1.09 (t, J = 7.2 Hz, 1H) k
19 171.09
20
21 42.01 3.47–3.41 (m, 2H) l
21 39.72 3.32 (q, J = 7.1 Hz, 2H)
22 15.29 1.19 (t, J = 7.1 Hz, 3H)
22 13.55 1.07 (t, J = 7.1 Hz, 3H) m
TA n 72.33 4.18 (s, 1H)
TA n 173.89
a

Overlapping with H-13 and H-12.

b

Overlapping with H-5β and H-21 (2H).

c

Overlapping with solvent.

d

Overlapping H-4β and H-21 (2H).

e

Overlapping H-17 (1H).

f

Overlapping with H-17 (1H).

g

Overlapping with H-13 and H-2.

h

Overlapping with H-12 and H-2.

i

Overlapping with H-7α.

j

Overlapping with H-7β.

k

Overlapping with H-22 (3H).

l

Overlapping H-5β and H-4β (1H).

m

Overlapping with H-18 (3H).

n

TA: tartaric acid.