Human Metabolome Database: 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) (HMDB0000951)

Spectrum Details

HMDB ID:	HMDB0000951
Compound name:	Taurochenodesoxycholic acid
Spectrum type:	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)

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MMDBc0000173

Multiplets	❮ ❯ 7.48 3.90 3.67 3.38 3.34 3.26 2.46 2.14 1.79 1.70 1.63 1.63 1.57 1.57 1.52 1.45 1.40 1.37 1.34 0.98 0.95 0.93 0.88 0.70

Assignment Table
Row No.	Cluster Midpoint	No. Peaks	Coupling Type	No. H's	Atom No.		Peak Centers (ppm)
1	7.48	16	t	1	43	+	7.267.317.337.407.417.437.457.467.477.487.537.547.577.617.677.68
2	3.90	7	dt	1	78	+	3.753.813.883.893.963.974.04
3	3.67	41	m	1	71	+	3.333.343.363.403.433.453.473.483.493.513.543.543.553.573.583.603.613.643.653.663.683.693.703.713.733.733.753.773.793.803.823.823.833.843.853.873.913.943.963.984.00
4	3.38	16	t	2	46 47	+	3.173.213.333.343.433.463.473.323.333.333.343.373.433.463.493.52
5	3.34	9	t	2	41 42	+	3.203.403.203.263.333.343.393.403.53
6	3.26	18	dt	2	44 45	+	3.193.233.263.313.323.063.133.153.213.213.233.263.273.293.313.323.413.44
7	2.46	34	ddd	1	55	+	2.182.232.252.272.302.332.332.352.362.372.382.402.412.422.422.432.442.462.472.482.502.502.522.532.542.552.602.602.612.652.672.702.722.77
8	2.14	30	m	1	75	+	1.901.941.951.952.002.022.032.032.062.072.082.092.112.112.142.152.162.172.182.192.212.232.242.252.262.292.302.332.372.38
9	1.79	35	ddd	2	59 60	+	1.621.631.661.671.711.731.761.771.781.831.871.911.921.972.022.061.541.601.631.651.671.721.731.761.771.781.791.801.811.861.871.901.931.981.99
10	1.70	33	ddd	2	67 68	+	1.541.621.661.701.721.731.761.771.791.901.911.441.481.511.531.551.561.581.621.631.651.681.691.701.721.731.771.821.841.851.911.931.96
11	1.63	35	m	2	69 70	+	1.381.391.431.481.481.501.541.561.591.601.641.671.671.681.701.711.741.771.801.911.441.481.571.601.611.621.631.641.671.681.691.731.761.821.89
12	1.63	82	m	2	50 51	+	1.321.341.341.371.401.411.421.451.481.491.511.521.541.541.551.571.581.581.611.611.621.631.641.661.681.701.711.741.761.771.811.841.871.891.921.931.951.972.001.281.331.351.371.401.421.431.441.461.481.491.491.511.511.521.531.541.551.561.571.581.591.601.621.631.671.681.701.711.721.731.741.751.771.791.811.871.891.911.921.931.951.97
13	1.57	32	ddd	1	54	+	1.311.331.371.391.411.421.431.451.461.491.501.511.521.541.551.551.551.561.581.591.611.631.641.661.681.701.761.791.811.841.841.88
14	1.57	20	td	2	39 40	+	1.451.511.521.541.591.621.681.491.511.521.531.541.551.591.591.611.621.621.681.68
15	1.52	30	m	2	57 58	+	1.251.391.401.441.491.501.531.561.571.581.611.621.641.681.731.291.361.381.411.441.471.491.501.511.541.551.601.641.661.73
16	1.45	89	m	2	52 53	+	0.921.031.141.161.191.211.241.261.291.301.311.321.361.381.421.421.441.461.471.471.501.511.521.531.541.541.551.561.571.591.601.641.661.671.681.751.751.770.960.971.021.031.121.171.191.191.241.271.291.301.311.331.341.361.361.361.391.391.401.411.431.451.461.461.471.481.501.511.521.531.551.571.581.591.601.621.631.671.671.681.691.701.721.731.741.771.811.831.85
17	1.40	22	ddd	2	73 74	+	1.191.241.281.311.361.401.411.451.491.531.571.621.321.321.341.361.371.411.451.461.481.53
18	1.37	20	ddd	2	76 77	+	1.191.251.301.341.381.421.461.501.171.181.251.291.331.371.381.421.461.501.541.58
19	1.34	34	m	1	38	+	0.880.900.950.981.191.221.241.251.261.281.301.311.311.331.351.371.381.391.401.411.421.431.431.441.471.471.481.491.501.511.531.531.541.59
20	0.98	1	s	3	64 65 66	+	0.98
21	0.95	45	ddd	1	49	+	0.630.650.680.700.710.730.750.780.780.810.820.830.870.870.880.890.900.910.920.930.940.940.950.960.970.980.980.990.991.011.011.031.051.061.071.091.111.141.171.191.211.221.231.251.28
22	0.93	19	m	3	35 36 37	+	0.730.920.981.050.730.770.850.860.920.921.051.100.850.860.920.991.011.051.11
23	0.88	35	ddd	1	56	+	0.470.530.550.560.620.630.650.670.700.700.720.770.780.790.800.820.870.870.880.890.920.960.971.001.011.031.061.101.111.121.151.191.211.251.35
24	0.70	1	s	3	61 62 63	+	0.70

Experimental Conditions

Solvent:	H₂O
Nucleus:	¹H
Frequency:	100 MHz

Documentation

Document Description	Download	File Size
Peak List (TXT)	Download file	39 KB
Peak Assignments (TXT)	Download file	1.3 KB
Spectra Image with Peak Assignments	Not Available	Not Available
Raw Spectrum Image	Not Available	Not Available
nmrML File (NMRML)	Download file	619 KB
JCAMP-DX File (JDX)	Download file	206 KB
Raw Free Induction Decay file for spectral processing	Not Available	Not Available
Validation Report	Not Available	Not Available

References

Not Available

¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted) (HMDB0000951)

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