Glyceryl Tridecanoate (C33H62O6)

View large 3D structure

BMRB entry bmse000566

Entry DOI: doi:10.13018/BMSE000566
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley

NMR-STAR file:

bmse000566.str

NMR-STAR

interactive viewer

Structure file (mol/sdf):

bmse000566.mol

All files for

bmse000566

Time Domain Data:

bmse000566.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
C18C731.6384
C15C829.2124
C16C929.0554
C17C1028.8604
C13C1131.6384
C14C1229.2124
C21C1329.0554
C12C1428.8604
C19C1531.6384
C20C1629.2124
C10C1729.0554
C11C1828.8604
C24C1924.6591
C22C2024.6591
C23C2124.6591
C9C2231.6384
C7C2329.2124
C8C2429.0554
C27C2533.9894
C25C2633.8234
C26C2733.9894
C6C2822.4391
C4C2922.4391
C5C3022.4391
C30C3168.6331
C28C3261.8664
C29C3361.8664
C33C34173.0594
C31C35172.6434
C32C36173.0594
C3C3713.8671
C1C3813.8671
C2C3913.8671
H77H401.2694
H78H411.2694
H71H421.2694
H72H431.2694
H73H441.2694
H74H451.2694
H75H461.2694
H76H471.2694
H67H481.2694
H68H491.2694
H69H501.2694
H70H511.2694
H83H521.2694
H84H531.2694
H65H541.2694
H66H551.2694
H79H561.2694
H80H571.2694
H81H581.2694
H82H591.2694
H61H601.2694
H62H611.2694
H63H621.2694
H64H631.2694
H89H641.6121
H90H651.6121
H85H661.6121
H86H671.6121
H87H681.6121
H88H691.6121
H59H701.2694
H60H711.2694
H55H721.2694
H56H731.2694
H57H741.2694
H58H751.2694
H95H762.3144
H96H772.3144
H91H782.3144
H92H792.3144
H93H802.3144
H94H812.3144
H53H821.2694
H54H831.2694
H49H841.2694
H50H851.2694
H51H861.2694
H52H871.2694
H101H885.2711
H97H894.3014
H98H904.1504
H99H914.3014
H100H924.1504
H46H930.8831
H47H940.8831
H48H950.8831
H42H960.8831
H40H970.8831
H41H980.8831
H44H990.8831
H43H1000.8831
H45H1010.8831

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: bmse000566_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: bmse000566_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: bmse000566_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: bmse000566_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: bmse000566_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: bmse000566_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: bmse000566_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: bmse000566_8.zip