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Spectral Data   Additional Data   Download  
Molecule
60005037
Chemical name(s)3,4',5,7-tetrahydroxyflavone; kaempferol; kempferol
Chemical formulaC15H10O6
Molecular weight286.237
Number of double bond equivalents (DBEs)11.0
Number of all rings, size of smallest set of smallest rings4, 3
Canonical name(s)
CAS-Number 520-18-3
Additional information wikidata;
Links from Unichem: BindingDB;Guide to Pharmacology;MedChemExpress;Brenda;Brenda;EPA (Environmental Protection Agency) CompTox Dashboard;LipidMaps;ZINC;MolPort;SureChEMBL;Nikkaji;PubChem Compounds;Probes And Drugs;PubChe... (truncated)
Molecule keywords
DOI
13C Spectrum
60006130 Rating: 10 (10: 10: nmrshiftdb2 quality check: accept/reliability: excellent (admin))
Type13C
Measurement conditions
Temperature [K]298
SolventMethanol-D4 (CD3OD)
Field Strength [MHz]37.5
Assignment Method1H, H,H-COSY, H,H-NOESY, H,C-HMQC, H,C-HMBC, DEPTQ, 1H, 13C, 1H, H,H-COSY
Literature
Additional commentsin-house database
nmrshiftdb2 quality report Download
Additional information
Spectrum categories



Spectral Data   Additional Data   Download  
Type: 1H 500.0 Double click to get resizeable window!
Atom
Mult.(coupling const.)
Meas.
Shift
1-H
3-H 6.95
4-H 8.04
5-H 6.95
6-H 8.04
10-H
14-H
15-H 6.28
17-H
18-H 6.52

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Spectral Data   Additional Data   Download  
Type: 13C Double click to get resizeable window!
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
hose_lotusv7
2 S 159.63 160.1160.12
3 D 115.67 116.3116.3
4 D 129.77 125.9130.4
5 D 115.67 116.3116.3
6 D 129.77 125.9130.4
7 S 122.27 123.3123.4
8 S 146.80 146.8146.6
9 S 136.15 136.6136.6
11 S 176.30 176.6175.26
12 S 103.35 104.1105.34
13 S 161.20 162.3161.85
15 D 98.60 99.299.18
16 S 164.32 164.9164.18
18 D 93.73 94.494.02
19 S 156.57 157.7157.05

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Spectral Data   Additional Data   Download  
Type: 13C Double click to get resizeable window!
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
acd_lotusv7
2 S 160.12 160.1159.63
3 D 116.30 116.3115.67
4 D 130.40 125.9129.77
5 D 116.30 116.3115.67
6 D 130.40 125.9129.77
7 S 123.40 123.3122.27
8 S 146.60 146.8146.8
9 S 136.60 136.6136.15
11 S 175.26 176.6176.3
12 S 105.34 104.1103.35
13 S 161.85 162.3161.2
15 D 99.18 99.298.6
16 S 164.18 164.9164.32
18 D 94.02 94.493.73
19 S 157.05 157.7156.57

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