Glyceryl Tridecanoate (C33H62O6)

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:

NMR-STAR

interactive viewer

Structure file (mol/sdf):

All files for

bmse000566

Time Domain Data:

Sample and instrument details are given with the spectrum

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

Atom ID	Author Nomenclature	Value	Ambiguity Code
C18	C7	31.638	4
C15	C8	29.212	4
C16	C9	29.055	4
C17	C10	28.860	4
C13	C11	31.638	4
C14	C12	29.212	4
C21	C13	29.055	4
C12	C14	28.860	4
C19	C15	31.638	4
C20	C16	29.212	4
C10	C17	29.055	4
C11	C18	28.860	4
C24	C19	24.659	1
C22	C20	24.659	1
C23	C21	24.659	1
C9	C22	31.638	4
C7	C23	29.212	4
C8	C24	29.055	4
C27	C25	33.989	4
C25	C26	33.823	4
C26	C27	33.989	4
C6	C28	22.439	1
C4	C29	22.439	1
C5	C30	22.439	1
C30	C31	68.633	1
C28	C32	61.866	4
C29	C33	61.866	4
C33	C34	173.059	4
C31	C35	172.643	4
C32	C36	173.059	4
C3	C37	13.867	1
C1	C38	13.867	1
C2	C39	13.867	1
H77	H40	1.269	4
H78	H41	1.269	4
H71	H42	1.269	4
H72	H43	1.269	4
H73	H44	1.269	4
H74	H45	1.269	4
H75	H46	1.269	4
H76	H47	1.269	4
H67	H48	1.269	4
H68	H49	1.269	4
H69	H50	1.269	4
H70	H51	1.269	4
H83	H52	1.269	4
H84	H53	1.269	4
H65	H54	1.269	4
H66	H55	1.269	4
H79	H56	1.269	4
H80	H57	1.269	4
H81	H58	1.269	4
H82	H59	1.269	4
H61	H60	1.269	4
H62	H61	1.269	4
H63	H62	1.269	4
H64	H63	1.269	4
H89	H64	1.612	1
H90	H65	1.612	1
H85	H66	1.612	1
H86	H67	1.612	1
H87	H68	1.612	1
H88	H69	1.612	1
H59	H70	1.269	4
H60	H71	1.269	4
H55	H72	1.269	4
H56	H73	1.269	4
H57	H74	1.269	4
H58	H75	1.269	4
H95	H76	2.314	4
H96	H77	2.314	4
H91	H78	2.314	4
H92	H79	2.314	4
H93	H80	2.314	4
H94	H81	2.314	4
H53	H82	1.269	4
H54	H83	1.269	4
H49	H84	1.269	4
H50	H85	1.269	4
H51	H86	1.269	4
H52	H87	1.269	4
H101	H88	5.271	1
H97	H89	4.301	4
H98	H90	4.150	4
H99	H91	4.301	4
H100	H92	4.150	4
H46	H93	0.883	1
H47	H94	0.883	1
H48	H95	0.883	1
H42	H96	0.883	1
H40	H97	0.883	1
H41	H98	0.883	1
H44	H99	0.883	1
H43	H100	0.883	1
H45	H101	0.883	1

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

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

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

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

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

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

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

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

Download time domain data: bmse000566_8.zip