Delta-tocopherol (C27H46O2)

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BMRB entry bmse000547

Entry DOI: doi:10.13018/BMSE000547
Data source: Madison Metabolomics Consortium - Francisca Jofre, Emilie Ponce, Mark E. Anderson, John L. Markley

NMR-STAR file:

bmse000547.str

NMR-STAR

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Structure file (mol/sdf):

bmse000547.mol

All files for

bmse000547

Time Domain Data:

bmse000547.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Atom IDAuthor NomenclatureValueAmbiguity Code
C27C375.6051
C16C439.9611
C22C532.8244
C9C621.0111
C17C731.3551
C14C837.4714
C13C937.3184
C8C1024.8374
C15C1122.5401
C21C1232.7194
C12C1337.4714
C6C1424.1291
C24C15121.3341
C26C16146.0661
C11C1737.3184
C4C1819.7814
C7C1924.4844
C3C2019.6874
C10C2139.4021
C23C22127.3731
C19C23112.6151
C20C2428.0141
C18C25115.6521
C25C26147.6851
C5C2716.1001
C1C2822.7592
C2C2922.6652
H66H301.7504
H67H311.5254
H74H321.3314
H52H331.0984
H53H341.7504
H68H351.5254
H69H361.3314
H62H371.0984
H63H381.7504
H60H391.5254
H61H401.3314
H50H411.0984
H51H421.7504
H64H432.6811
H65H442.6811
H73H451.5254
H58H461.3314
H59H471.0984
H45H481.2411
H46H491.2411
H47H501.2411
H56H511.7504
H57H521.5254
H40H530.8624
H39H540.8624
H41H550.8624
H48H561.3314
H49H571.0984
H36H580.8624
H38H590.8624
H37H600.8624
H54H611.7504
H55H621.5254
H71H636.3791
H72H641.3314
H70H656.4751
H43H662.1201
H42H672.1201
H44H682.1201
H30H690.8624
H31H700.8624
H32H710.8624
H35H720.8624
H33H730.8624
H34H740.8624
H75H750.8624

NMR experiments

1: 1D 1H
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 1
Download time domain data: bmse000547_1.zip

2: 2D [1H,1H]-TOCSY
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 2
Download time domain data: bmse000547_2.zip

3: 1D 13C
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 3
Download time domain data: bmse000547_3.zip

4: 1D DEPT90
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 4
Download time domain data: bmse000547_4.zip

5: 1D DEPT135
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 5
Download time domain data: bmse000547_5.zip

6: 2D [1H,13C]-HSQC
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 6
Download time domain data: bmse000547_6.zip

7: 2D [1H,13C]-HMBC
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 7
Download time domain data: bmse000547_7.zip

8: 2D [1H,1H]-COSY
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 8
Download time domain data: bmse000547_8.zip