Retinyl Palmitate (C36H60O2)

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:

NMR-STAR

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Structure file (mol/sdf):

All files for

bmse000501

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
C36	C3	34.245	1
C29	C4	36.941	4
C21	C5	30.395	4
C34	C6	133.878	4
C24	C7	29.261	4
C33	C8	126.680	4
C5	C9	26.281	4
C6	C10	19.069	4
C27	C11	135.044	4
C4	C12	11.463	4
C26	C13	133.184	4
C13	C14	26.699	4
C14	C15	20.033	4
C12	C16	16.593	4
C15	C17	36.941	4
C11	C18	30.395	4
C16	C19	29.261	4
C10	C20	26.699	4
C17	C21	20.033	4
C31	C22	133.878	4
C9	C23	16.593	4
C18	C24	36.941	4
C8	C25	30.395	4
C19	C26	24.991	1
C2	C27	10.083	4
C7	C28	29.261	4
C22	C29	127.296	4
C25	C30	34.349	1
C1	C31	26.281	4
C20	C32	124.283	4
C35	C33	173.839	1
C23	C34	123.045	4
C32	C35	139.014	1
C30	C36	61.077	1
C28	C37	124.662	1
C3	C38	19.069	4
H95	H39	2.291	4
H96	H40	2.014	4
H84	H41	1.609	4
H85	H42	1.464	4
H88	H43	1.252	4
H89	H44	1.023	4
H51	H45	1.958	4
H53	H46	1.891	4
H52	H47	1.709	4
H56	H48	1.023	4
H54	H49	0.879	4
H55	H50	1.958	4
H93	H51	6.638	4
H49	H52	1.891	4
H48	H53	1.709	4
H50	H54	1.023	4
H92	H55	6.279	4
H69	H56	2.291	4
H70	H57	2.014	4
H71	H58	1.609	4
H72	H59	1.464	4
H67	H60	1.252	4
H68	H61	1.023	4
H73	H62	2.291	4
H74	H63	2.014	4
H65	H64	1.609	4
H66	H65	1.464	4
H75	H66	1.252	4
H76	H67	1.023	4
H63	H68	2.291	4
H64	H69	2.014	4
H77	H70	1.609	4
H78	H71	1.464	4
H61	H72	1.252	4
H62	H73	1.023	4
H79	H74	2.291	4
H80	H75	2.014	4
H59	H76	1.609	4
H60	H77	1.464	4
H81	H78	1.252	4
H82	H79	1.023	4
H43	H80	0.879	4
H42	H81	1.958	4
H44	H82	1.891	4
H57	H83	2.291	4
H58	H84	2.014	4
H86	H85	6.192	4
H90	H86	2.291	4
H91	H87	2.291	4
H39	H88	1.709	4
H41	H89	1.023	4
H40	H90	0.879	4
H83	H91	6.102	4
H87	H92	5.994	4
H97	H93	4.732	1
H98	H94	4.732	1
H94	H95	5.610	1
H46	H96	1.958	4
H47	H97	1.891	4
H45	H98	1.709	4

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

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

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

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

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

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

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

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

Download time domain data: bmse000501_8.zip