Retinyl Palmitate (C36H60O2)

View large 3D structure

BMRB entry bmse000501

Entry DOI: doi:10.13018/BMSE000501
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley

NMR-STAR file:

bmse000501.str

NMR-STAR

interactive viewer

Structure file (mol/sdf):

bmse000501.mol

All files for

bmse000501

Time Domain Data:

bmse000501.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
C36C334.2451
C29C436.9414
C21C530.3954
C34C6133.8784
C24C729.2614
C33C8126.6804
C5C926.2814
C6C1019.0694
C27C11135.0444
C4C1211.4634
C26C13133.1844
C13C1426.6994
C14C1520.0334
C12C1616.5934
C15C1736.9414
C11C1830.3954
C16C1929.2614
C10C2026.6994
C17C2120.0334
C31C22133.8784
C9C2316.5934
C18C2436.9414
C8C2530.3954
C19C2624.9911
C2C2710.0834
C7C2829.2614
C22C29127.2964
C25C3034.3491
C1C3126.2814
C20C32124.2834
C35C33173.8391
C23C34123.0454
C32C35139.0141
C30C3661.0771
C28C37124.6621
C3C3819.0694
H95H392.2914
H96H402.0144
H84H411.6094
H85H421.4644
H88H431.2524
H89H441.0234
H51H451.9584
H53H461.8914
H52H471.7094
H56H481.0234
H54H490.8794
H55H501.9584
H93H516.6384
H49H521.8914
H48H531.7094
H50H541.0234
H92H556.2794
H69H562.2914
H70H572.0144
H71H581.6094
H72H591.4644
H67H601.2524
H68H611.0234
H73H622.2914
H74H632.0144
H65H641.6094
H66H651.4644
H75H661.2524
H76H671.0234
H63H682.2914
H64H692.0144
H77H701.6094
H78H711.4644
H61H721.2524
H62H731.0234
H79H742.2914
H80H752.0144
H59H761.6094
H60H771.4644
H81H781.2524
H82H791.0234
H43H800.8794
H42H811.9584
H44H821.8914
H57H832.2914
H58H842.0144
H86H856.1924
H90H862.2914
H91H872.2914
H39H881.7094
H41H891.0234
H40H900.8794
H83H916.1024
H87H925.9944
H97H934.7321
H98H944.7321
H94H955.6101
H46H961.9584
H47H971.8914
H45H981.7094

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: bmse000501_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: bmse000501_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: bmse000501_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: bmse000501_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: bmse000501_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: bmse000501_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: bmse000501_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: bmse000501_8.zip