Cholesteryl Palmitate (C43H76O2)

View large 3D structure

BMRB entry bmse000544

Entry DOI: doi:10.13018/BMSE000544
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley

NMR-STAR file:

bmse000544.str

NMR-STAR

interactive viewer

Structure file (mol/sdf):

bmse000544.mol

All files for

bmse000544

Time Domain Data:

bmse000544.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
C43C345.0311
C39C459.4051
C37C534.6201
C40C652.7501
C38C758.8501
C31C842.4504
C42C939.3121
C27C1042.2454
C29C1139.7234
C26C1238.9084
C25C1334.6204
C34C1438.5211
C6C1514.5771
C35C16142.4351
C30C1732.4274
C24C18125.3041
C5C1922.0431
C32C2040.8821
C28C2132.1954
C22C2232.1094
C36C2376.3981
C4C2421.4331
C20C2531.9914
C21C2631.8424
C33C2730.7401
C41C28176.0741
C23C2937.4451
C2C3025.5482
C3C3125.2922
C19C3230.9574
C18C3330.5384
C17C3427.7974
C16C3527.0064
C15C3626.5544
C14C3725.4304
C13C3823.7544
C12C3942.4504
C11C4042.2454
C10C4139.7234
C9C4238.9084
C8C4334.6204
C7C4432.4274
C1C4516.8561
H120H461.9924
H118H471.8474
H121H481.5194
H119H491.2574
H111H501.1244
H112H511.9924
H103H521.8474
H104H531.5194
H107H541.2574
H108H551.1244
H101H561.9924
H102H571.8474
H99H581.5194
H100H591.2574
H116H601.1244
H61H610.6801
H62H620.6801
H63H630.6801
H109H641.9924
H110H651.8474
H98H665.3741
H58H671.0231
H60H681.0231
H59H691.0231
H113H702.3121
H114H712.3121
H105H721.5194
H106H731.2574
H94H741.1244
H95H751.9924
H117H764.6181
H55H770.8974
H56H780.8974
H57H790.8974
H90H801.8474
H91H811.5194
H92H821.2574
H93H831.1244
H115H841.9924
H96H852.2671
H97H862.2671
H51H870.8974
H50H880.8974
H49H890.8974
H54H901.8474
H53H911.5194
H52H921.2574
H88H931.1244
H89H941.9924
H86H951.8474
H87H961.5194
H84H971.2574
H85H981.1244
H82H991.9924
H83H1001.8474
H80H1011.5194
H81H1021.2574
H78H1031.1244
H79H1041.9924
H76H1051.8474
H77H1061.5194
H74H1071.2574
H75H1081.1244
H72H1091.9924
H73H1101.8474
H70H1111.5194
H71H1121.2574
H68H1131.1244
H69H1141.9924
H66H1151.8474
H67H1161.5194
H64H1171.2574
H65H1181.1244
H46H1190.8974
H47H1200.8974
H48H1210.8974

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: bmse000544_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: bmse000544_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: bmse000544_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: bmse000544_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: bmse000544_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: bmse000544_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: bmse000544_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: bmse000544_8.zip