NP-MRD: 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) (NP0085172)

Spectrum Details

NP-MRD ID:	NP0085172
Compound name:	3,26-Dihydroxycholest-5-ene-16,22-dione
Spectrum type:	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)

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Multiplets	❮ ❯ 6.65 3.78 3.60 3.49 2.58 2.58 2.43 2.23 2.17 2.12 2.12 2.00 1.99 1.85 1.83 1.83 1.81 1.75 1.66 1.59 1.47 1.43 1.40 1.27 1.21 1.00 0.92 0.69 0.69 0.69

Peak Assignment Table
Row No.	Cluster Midpoint	No. Peaks	Coupling Type	No. H's	Atom No.		Peak Centers (ppm)
1	6.65	11	dd	1	54	+	6.636.646.656.656.656.656.656.656.656.666.67
2	3.78	4	dd	1	45	+	3.773.783.783.79
3	3.60	4	dd	1	44	+	3.593.603.603.61
4	3.49	12	m	1	57	+	3.483.483.483.493.493.493.493.493.493.503.503.50
5	2.58	10	dd	1	49	+	2.542.552.562.562.582.582.602.602.612.62
6	2.58	6	dt	1	36	+	2.562.572.582.582.592.60
7	2.43	8	m	1	35	+	2.412.422.422.432.432.442.442.45
8	2.23	6	dt	1	37	+	2.212.222.232.232.242.25
9	2.17	2	dd	2	55 56	+	2.172.17
10	2.12	33	ddd	2	52 53	+	2.082.102.102.112.112.122.122.122.132.132.142.162.092.102.102.112.112.112.122.122.122.122.122.122.122.122.122.132.132.132.142.142.15
11	2.12	29	m	1	51	+	2.082.082.092.092.102.102.102.102.102.112.112.112.112.122.122.122.122.132.132.132.132.142.142.142.142.152.152.152.16
12	2.00	18	m	1	68	+	1.971.971.991.991.991.992.002.002.002.002.002.002.012.012.012.022.032.03
13	1.99	18	m	1	60	+	1.901.921.931.981.981.991.991.992.002.002.002.012.012.012.012.012.022.02
14	1.85	10	dd	1	48	+	1.831.831.831.841.851.851.851.851.871.88
15	1.83	10	ddd	1	66	+	1.811.821.821.831.831.831.841.841.851.86
16	1.83	34	ddd	1	50	+	1.791.791.801.801.801.811.811.811.821.821.821.821.821.821.821.831.831.831.831.831.831.831.831.841.841.841.841.841.851.851.861.861.861.87
17	1.81	16	m	1	40	+	1.781.791.791.801.801.801.811.811.811.811.821.821.821.831.831.84
18	1.75	8	ddd	1	61	+	1.731.741.741.751.751.761.761.77
19	1.66	14	m	1	59	+	1.641.641.651.651.651.661.661.661.661.671.671.671.681.68
20	1.59	2	d	1	47	+	1.591.59
21	1.47	15	m	1	67	+	1.441.451.461.461.461.461.471.471.471.481.481.481.481.491.50
22	1.43	10	dtd	1	38	+	1.411.421.421.431.431.431.441.441.441.45
23	1.40	10	dtd	1	39	+	1.381.391.391.391.401.401.401.411.411.42
24	1.27	14	ddd	2	69 70	+	1.241.261.261.271.271.281.281.291.251.261.271.271.281.29
25	1.21	2	d	3	41 42 43	+	1.211.21
26	1.00	8	ddd	1	62	+	0.990.991.001.001.001.001.011.01
27	0.92	2	d	3	32 33 34	+	0.920.92
28	0.69	2	s	2	63 64	+	0.690.69
29	0.69	2	s	3	71 72 73	+	0.690.69
30	0.69	1	s	1	65	+	0.69

Experimental Conditions

Solvent:	D₂O
Nucleus:	¹H
Frequency:	800 MHz

Documentation

Document Description	Download	File Size
Peak List (TXT)	Download file	17.9 KB
Peak Assignments (TXT)	Download file	1.27 KB
Spectra Image with Peak Assignments	Not Available	Not Available
Raw Spectrum Image	Not Available	Not Available
nmrML File (NMRML)	Download file	587 KB
JCAMP-DX File (JDX)	Download file	175 KB
Raw Free Induction Decay file for spectral processing	Not Available	Not Available
Validation Report	Not Available	Not Available

References

Not Available