Spectrum Details
NP-MRD ID:NP0233372
Compound name:1-(3-{1-[4-(acetyloxy)-9a,11a-dimethyl-7-oxo-1h,2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]ethyl}-5,6,6-trimethyl-2,7,8-trioxabicyclo[3.2.1]octan-1-yl)-2-(methylsulfanyl)-2-oxoethyl acetate
Spectrum type:13C NMR Spectrum (1D, 176 MHz, H2O, predicted)
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?JSV
Multiplets 
193.61
185.79
170.21
170.09
155.07
153.63
127.67
125.23
111.74
81.50
77.48
77.06
77.06
73.63
52.93
51.80
50.54
43.90
43.11
40.80
40.59
39.37
39.30
38.52
27.97
25.81
24.90
23.30
22.21
21.23
21.04
18.51
13.55
12.80
11.09
Peak Assignment Table
Row No.Cluster MidpointNo. PeaksCoupling TypeNo. C'sAtom No.Peak Centers (ppm)
1193.611s1
3
193.61
2185.791s1
29
185.79
3170.211s1
36
170.21
4170.091s1
7
170.09
5155.071s1
27
155.07
6153.631s1
32
153.63
7127.671s1
28
127.67
8125.231s1
31
125.23
9111.741s1
10
111.74
1081.501s1
43
81.50
1177.481s1
40
77.48
1277.061s1
34
77.06
1377.061s1
12
77.06
1473.631s1
5
73.63
1552.931s1
15
52.93
1651.801s1
18
51.80
1750.541s1
20
50.54
1843.901s1
23
43.90
1943.111s1
25
43.11
2040.801s1
22
40.80
2140.591s1
39
40.59
2239.371s1
33
39.37
2339.301s1
13
39.30
2438.521s1
19
38.52
2527.971s1
16
27.97
2625.811s1
41
25.81
2724.901s1
17
24.90
2823.301s2
44
45
23.30
2922.211s1
21
22.21
3021.231s1
37
21.23
3121.041s1
8
21.04
3218.511s1
26
18.51
3313.551s1
14
13.55
3412.801s1
24
12.80
3511.091s1
1
11.09
Experimental Conditions
Solvent:H2O
Nucleus:13C
Frequency:700 MHz
Documentation
Document DescriptionDownloadFile Size
Peak List (TXT)Download file1.85 KB
Peak Assignments (TXT)Download file1.48 KB
Spectra Image with Peak AssignmentsNot AvailableNot Available
Raw Spectrum ImageNot AvailableNot Available
nmrML File (NMRML)Download file567 KB
JCAMP-DX File (JDX)Download file157 KB
Raw Free Induction Decay file for spectral processingNot AvailableNot Available
Validation ReportNot AvailableNot Available
References
Not Available