Erythromycin (C37H67NO13)

Erythromycin bmse000664 - Data

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BMRB entry bmse000664

Entry DOI: doi:10.13018/BMSE000664
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley, Ravi Rapolu

NMR-STAR file:

bmse000664.str

NMR-STAR

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Structure file (mol/sdf):

bmse000664.mol

All files for

bmse000664

Time Domain Data:

bmse000664.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

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

Atom ID	Author Nomenclature	Value	Ambiguity Code
C32	C15	84.019	4
C21	C16	80.270	4
C35	C17	74.984	4
C29	C18	78.924	4
C16	C19	39.375	4
C22	C20	77.206	4
C18	C21	75.425	4
C34	C22	103.539	1
C26	C23	96.984	1
C36	C24	74.863	4
C5	C25	49.709	4
C28	C26	71.830	4
C24	C27	69.735	4
C17	C28	35.721	4
C8	C29	44.551	4
C31	C30	68.899	4
C20	C31	66.298	4
C37	C32	73.570	4
C15	C33	26.925	4
C30	C34	66.210	4
C23	C35	45.591	4
C27	C36	176.161	4
C19	C37	84.019	4
C25	C38	80.270	4
C33	C39	176.161	4
C6	C40	40.875	4
C2	C41	40.855	4
C9	C42	40.250	4
C4	C43	21.908	4
C10	C44	21.538	4
C14	C45	22.073	4
C7	C46	19.213	4
C3	C47	18.742	4
C11	C48	17.026	4
C12	C49	16.286	4
C1	C50	12.486	4
C13	C51	11.153	4
H112	H52	5.093	4
H102	H53	4.123	4
H109	H54	3.963	4
H95	H55	2.428	4
H96	H56	1.696	4
H103	H57	3.899	4
H99	H58	3.392	4
H113	H59	4.565	1
H107	H60	4.874	1
H65	H61	3.344	4
H64	H62	2.761	4
H66	H63	2.311	4
H108	H64	2.565	4
H105	H65	2.890	4
H97	H66	3.141	4
H98	H67	3.021	4
H73	H68	2.290	4
H75	H69	2.062	4
H74	H70	1.447	4
H111	H71	3.141	4
H101	H72	3.021	4
H93	H73	1.597	4
H94	H74	2.428	4
H110	H75	1.597	4
H104	H76	1.917	4
H100	H77	1.189	4
H106	H78	5.093	4
H67	H80	0.822	4
H69	H81	1.917	4
H68	H82	1.189	4
H57	H83	3.344	4
H55	H84	2.761	4
H56	H85	2.311	4
H77	H86	2.290	4
H78	H87	2.062	4
H76	H88	1.447	4
H61	H89	0.822	4
H63	H90	1.917	4
H62	H91	1.189	4
H79	H92	3.344	4
H80	H93	2.761	4
H81	H94	2.311	4
H91	H95	1.696	4
H92	H96	3.141	4
H70	H97	2.290	4
H71	H98	2.062	4
H72	H99	1.447	4
H58	H100	0.822	4
H59	H101	1.917	4
H60	H102	1.189	4
H83	H107	3.344	4
H84	H108	2.761	4
H82	H109	2.311	4
H87	H110	2.290	4
H86	H111	2.062	4
H85	H112	1.447	4
H52	H113	0.822	4
H53	H114	1.917	4
H54	H115	1.189	4
H89	H116	3.344	4
H88	H117	2.761	4
H90	H118	2.311	4

NMR experiments

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

Download time domain data: bmse000664_1.zip

2: 2D [1H,1H]-TOCSY
Sample: Saturated1 in acetone, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Spectrum for experiment #2: 2D [1H,1H]-TOCSY

Download time domain data: bmse000664_2.zip

3: 1D 13C
Sample: Saturated1 in acetone, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000664_3.zip

4: 1D DEPT90
Sample: Saturated1 in acetone, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000664_4.zip

5: 1D DEPT135
Sample: Saturated1 in acetone, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000664_5.zip

6: 2D [1H,13C]-HSQC
Sample: Saturated1 in acetone, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Spectrum for experiment #6: 2D [1H,13C]-HSQC

Download time domain data: bmse000664_6.zip

7: 2D [1H,13C]-HMBC
Sample: Saturated1 in acetone, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Spectrum for experiment #7: 2D [1H,13C]-HMBC

Download time domain data: bmse000664_7.zip

8: 2D [1H,1H]-COSY
Sample: Saturated1 in acetone, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Spectrum for experiment #8: 2D [1H,1H]-COSY

Download time domain data: bmse000664_8.zip