Erythromycin (C37H67NO13)

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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 IDAuthor NomenclatureValueAmbiguity Code
C32C1584.0194
C21C1680.2704
C35C1774.9844
C29C1878.9244
C16C1939.3754
C22C2077.2064
C18C2175.4254
C34C22103.5391
C26C2396.9841
C36C2474.8634
C5C2549.7094
C28C2671.8304
C24C2769.7354
C17C2835.7214
C8C2944.5514
C31C3068.8994
C20C3166.2984
C37C3273.5704
C15C3326.9254
C30C3466.2104
C23C3545.5914
C27C36176.1614
C19C3784.0194
C25C3880.2704
C33C39176.1614
C6C4040.8754
C2C4140.8554
C9C4240.2504
C4C4321.9084
C10C4421.5384
C14C4522.0734
C7C4619.2134
C3C4718.7424
C11C4817.0264
C12C4916.2864
C1C5012.4864
C13C5111.1534
H112H525.0934
H102H534.1234
H109H543.9634
H95H552.4284
H96H561.6964
H103H573.8994
H99H583.3924
H113H594.5651
H107H604.8741
H65H613.3444
H64H622.7614
H66H632.3114
H108H642.5654
H105H652.8904
H97H663.1414
H98H673.0214
H73H682.2904
H75H692.0624
H74H701.4474
H111H713.1414
H101H723.0214
H93H731.5974
H94H742.4284
H110H751.5974
H104H761.9174
H100H771.1894
H106H785.0934
H67H800.8224
H69H811.9174
H68H821.1894
H57H833.3444
H55H842.7614
H56H852.3114
H77H862.2904
H78H872.0624
H76H881.4474
H61H890.8224
H63H901.9174
H62H911.1894
H79H923.3444
H80H932.7614
H81H942.3114
H91H951.6964
H92H963.1414
H70H972.2904
H71H982.0624
H72H991.4474
H58H1000.8224
H59H1011.9174
H60H1021.1894
H83H1073.3444
H84H1082.7614
H82H1092.3114
H87H1102.2904
H86H1112.0624
H85H1121.4474
H52H1130.8224
H53H1141.9174
H54H1151.1894
H89H1163.3444
H88H1172.7614
H90H1182.3114

NMR experiments

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

Array spectrum for 1
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

Array spectrum for 2
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

Array spectrum for 3
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

Array spectrum for 4
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

Array spectrum for 5
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

Array spectrum for 6
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

Array spectrum for 7
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

Array spectrum for 8
Download time domain data: bmse000664_8.zip