BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Flavone (C15H10O2)

View large 3D structure

BMRB entry bmse000945

Entry DOI: doi:10.13018/BMSE000945
Data source: National Magnetic Facility at Madison - Francisca Jofre, Mark E. Anderson, John L. Markley

NMR-STAR file: bmse000945.str
NMR-STAR interactive viewer
Mol file: bmse000945.mol
All files for bmse000945
Time Domain Data: bmse000945.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Atom IDAuthor NomenclatureValueAmbiguity Code
C12C3131.7321
C15C4163.4061
C14C5156.2391
C11C6123.9241
C13C7178.5031
C10C8107.5611
C8C9133.8064
C8C9131.6294
C8C9129.0504
C8C9125.6854
C8C9125.2444
C8C9118.1004
C9C10133.8064
C9C10131.6294
C9C10129.0504
C9C10125.6854
C9C10125.2444
C9C10118.1004
C6C11126.2881
C7C12126.2881
C4C13133.8064
C4C13131.6294
C4C13129.0504
C4C13125.6854
C4C13125.2444
C4C13118.1004
C5C14133.8064
C5C14131.6294
C5C14129.0504
C5C14125.6854
C5C14125.2444
C5C14118.1004
C2C15133.8064
C2C15131.6294
C2C15129.0504
C2C15125.6854
C2C15125.2444
C2C15118.1004
C3C16133.8064
C3C16131.6294
C3C16129.0504
C3C16125.6854
C3C16125.2444
C3C16118.1004
C1C17133.8064
C1C17131.6294
C1C17129.0504
C1C17125.6854
C1C17125.2444
C1C17118.1004
H27H186.8351
H25H198.2374
H25H197.7054
H25H197.5504
H25H197.4254
H26H208.2374
H26H207.7054
H26H207.5504
H26H207.4254
H23H217.9311
H24H227.9311
H21H238.2374
H21H237.7054
H21H237.5504
H21H237.4254
H22H248.2374
H22H247.7054
H22H247.5504
H22H247.4254
H19H258.2374
H19H257.7054
H19H257.5504
H19H257.4254
H20H268.2374
H20H267.7054
H20H267.5504
H20H267.4254
H18H278.2374
H18H277.7054
H18H277.5504
H18H277.4254

NMR experiments

1: 1D 1H
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 1
Download time domain data: bmse000945_1.zip

2: 2D [1H,1H]-TOCSY
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 2
Download time domain data: bmse000945_2.zip

3: 1D 13C
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 3
Download time domain data: bmse000945_3.zip

4: 1D DEPT90
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 4
Download time domain data: bmse000945_4.zip

5: 1D DEPT135
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 5
Download time domain data: bmse000945_5.zip

6: 2D [1H,13C]-HSQC
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 6
Download time domain data: bmse000945_6.zip

7: 2D [1H,13C]-HMBC
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 7
Download time domain data: bmse000945_7.zip

8: 2D [1H,1H]-COSY
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 8
Download time domain data: bmse000945_8.zip

9: 2D [1H,13C]-HMQC
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 9
Download time domain data: bmse000945_9.zip

10: 2D [1H,13C]-HSQC SW small
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 10
Download time domain data: bmse000945_10.zip