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Details
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This molecule with other stereoconfigurations:
Molecule | 70087548 |
|---|
| Chemical name(s) |
Double bond configurations specified for the bond from:
2
to
3
,
10
to
12
|
| Chemical formula | C20H28O3 |
| Molecular weight | 316.435 |
| Number of double bond equivalents (DBEs) | 7.0 |
| Number of all rings, size of smallest set of smallest rings | 7, 3 |
| Canonical name(s) |
|
| CAS-Number |
|
| Additional information |
wikidata;
Links from Unichem: PubChem Compounds;Nikkaji
|
| Molecule keywords | |
| DOI | |
13C Spectrum | 70089978
Rating: 10 |
|---|
| Type | 13C |
|
Prediction conditions
|
| Program | ACD/Labs C+H NMR Predictors and DB, 2020.1.0 |
| Literature |
|
| Additional comments | ID: 8045; SMILES_ID: Q105157958_610896; multplicities generated from proton count |
| Additional information |
|
| Spectrum categories | acd_lotusv7 |
Type: 13C  
|
|
Atom |
Mult.(coupling const.) |
Prediction
Shift |
| Prediction 0
acd_lotusv7 |
|
1
|
Q |
9.62 |
| 12.56 |
|
2
|
S |
120.55 |
| 118.61 |
|
3
|
S |
141.84 |
| 164.05 |
|
4
|
T |
29.60 |
| 29.18 |
|
5
|
T |
40.30 |
| 41.09 |
|
6
|
S |
37.86 |
| 45.46 |
|
7
|
Q |
22.98 |
| 24.26 |
|
8
|
T |
34.70 |
| 39.23 |
|
9
|
T |
35.04 |
| 32.97 |
|
10
|
S |
157.49 |
| 154.82 |
|
11
|
Q |
25.96 |
| 25.57 |
|
12
|
D |
132.00 |
| 125.01 |
|
13
|
S |
200.65 |
| 201.86 |
|
15
|
T |
47.80 |
| 50.36 |
|
16
|
D |
27.70 |
| 26.92 |
|
17
|
Q |
21.10 |
| 20.73 |
|
18
|
T |
35.18 |
| 42.83 |
|
19
|
D |
77.45 |
| 73.98 |
|
21
|
S |
166.14 |
| 167.15 |
|
23
|
D |
47.91 |
| 54.79 |
|
|
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