D-Sphingosine (C18H37NO2)
BMRB entry bmse000850
Entry DOI: doi:10.13018/BMSE000850
Data source: National Magnetic Facility at Madison - Francisca Jofre, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse000850.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000850.molAll files for
bmse000850Time Domain Data:
bmse000850.zipSample and instrument details are given with the spectrum
Assigned chemical shifts
Set 1
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C8 | C4 | 31.929 | 4 |
| C8 | C4 | 29.700 | 4 |
| C8 | C4 | 29.683 | 4 |
| C8 | C4 | 29.666 | 4 |
| C8 | C4 | 29.616 | 4 |
| C8 | C4 | 29.484 | 4 |
| C8 | C4 | 29.370 | 4 |
| C8 | C4 | 29.232 | 4 |
| C8 | C4 | 29.143 | 4 |
| C7 | C5 | 31.929 | 4 |
| C7 | C5 | 29.700 | 4 |
| C7 | C5 | 29.683 | 4 |
| C7 | C5 | 29.666 | 4 |
| C7 | C5 | 29.616 | 4 |
| C7 | C5 | 29.484 | 4 |
| C7 | C5 | 29.370 | 4 |
| C7 | C5 | 29.232 | 4 |
| C7 | C5 | 29.143 | 4 |
| C9 | C6 | 31.929 | 4 |
| C9 | C6 | 29.700 | 4 |
| C9 | C6 | 29.683 | 4 |
| C9 | C6 | 29.666 | 4 |
| C9 | C6 | 29.616 | 4 |
| C9 | C6 | 29.484 | 4 |
| C9 | C6 | 29.370 | 4 |
| C9 | C6 | 29.232 | 4 |
| C9 | C6 | 29.143 | 4 |
| C6 | C7 | 31.929 | 4 |
| C6 | C7 | 29.700 | 4 |
| C6 | C7 | 29.683 | 4 |
| C6 | C7 | 29.666 | 4 |
| C6 | C7 | 29.616 | 4 |
| C6 | C7 | 29.484 | 4 |
| C6 | C7 | 29.370 | 4 |
| C6 | C7 | 29.232 | 4 |
| C6 | C7 | 29.143 | 4 |
| C10 | C8 | 31.929 | 4 |
| C10 | C8 | 29.700 | 4 |
| C10 | C8 | 29.683 | 4 |
| C10 | C8 | 29.666 | 4 |
| C10 | C8 | 29.616 | 4 |
| C10 | C8 | 29.484 | 4 |
| C10 | C8 | 29.370 | 4 |
| C10 | C8 | 29.232 | 4 |
| C10 | C8 | 29.143 | 4 |
| C5 | C9 | 31.929 | 4 |
| C5 | C9 | 29.700 | 4 |
| C5 | C9 | 29.683 | 4 |
| C5 | C9 | 29.666 | 4 |
| C5 | C9 | 29.616 | 4 |
| C5 | C9 | 29.484 | 4 |
| C5 | C9 | 29.370 | 4 |
| C5 | C9 | 29.232 | 4 |
| C5 | C9 | 29.143 | 4 |
| C11 | C10 | 31.929 | 4 |
| C11 | C10 | 29.700 | 4 |
| C11 | C10 | 29.683 | 4 |
| C11 | C10 | 29.666 | 4 |
| C11 | C10 | 29.616 | 4 |
| C11 | C10 | 29.484 | 4 |
| C11 | C10 | 29.370 | 4 |
| C11 | C10 | 29.232 | 4 |
| C11 | C10 | 29.143 | 4 |
| C4 | C11 | 31.929 | 4 |
| C4 | C11 | 29.700 | 4 |
| C4 | C11 | 29.683 | 4 |
| C4 | C11 | 29.666 | 4 |
| C4 | C11 | 29.616 | 4 |
| C4 | C11 | 29.484 | 4 |
| C4 | C11 | 29.370 | 4 |
| C4 | C11 | 29.232 | 4 |
| C4 | C11 | 29.143 | 4 |
| C12 | C12 | 31.929 | 4 |
| C12 | C12 | 29.700 | 4 |
| C12 | C12 | 29.683 | 4 |
| C12 | C12 | 29.666 | 4 |
| C12 | C12 | 29.616 | 4 |
| C12 | C12 | 29.484 | 4 |
| C12 | C12 | 29.370 | 4 |
| C12 | C12 | 29.232 | 4 |
| C12 | C12 | 29.143 | 4 |
| C3 | C13 | 31.929 | 4 |
| C3 | C13 | 29.700 | 4 |
| C3 | C13 | 29.683 | 4 |
| C3 | C13 | 29.666 | 4 |
| C3 | C13 | 29.616 | 4 |
| C3 | C13 | 29.484 | 4 |
| C3 | C13 | 29.370 | 4 |
| C3 | C13 | 29.232 | 4 |
| C3 | C13 | 29.143 | 4 |
| C13 | C14 | 32.347 | 1 |
| C2 | C15 | 22.705 | 1 |
| C14 | C16 | 134.899 | 1 |
| C18 | C17 | 75.625 | 1 |
| C17 | C18 | 56.069 | 1 |
| C15 | C19 | 129.234 | 1 |
| C1 | C20 | 14.147 | 1 |
| C16 | C21 | 64.278 | 1 |
| H37 | H22 | 1.377 | 4 |
| H37 | H22 | 1.258 | 4 |
| H38 | H23 | 1.377 | 4 |
| H38 | H23 | 1.258 | 4 |
| H35 | H24 | 1.377 | 4 |
| H35 | H24 | 1.258 | 4 |
| H36 | H25 | 1.377 | 4 |
| H36 | H25 | 1.258 | 4 |
| H39 | H26 | 1.377 | 4 |
| H39 | H26 | 1.258 | 4 |
| H40 | H27 | 1.377 | 4 |
| H40 | H27 | 1.258 | 4 |
| H33 | H28 | 1.377 | 4 |
| H33 | H28 | 1.258 | 4 |
| H34 | H29 | 1.377 | 4 |
| H34 | H29 | 1.258 | 4 |
| H41 | H30 | 1.377 | 4 |
| H41 | H30 | 1.258 | 4 |
| H42 | H31 | 1.377 | 4 |
| H42 | H31 | 1.258 | 4 |
| H31 | H32 | 1.377 | 4 |
| H31 | H32 | 1.258 | 4 |
| H32 | H33 | 1.377 | 4 |
| H32 | H33 | 1.258 | 4 |
| H43 | H34 | 1.377 | 4 |
| H43 | H34 | 1.258 | 4 |
| H44 | H35 | 1.377 | 4 |
| H44 | H35 | 1.258 | 4 |
| H29 | H36 | 1.377 | 4 |
| H29 | H36 | 1.258 | 4 |
| H30 | H37 | 1.377 | 4 |
| H30 | H37 | 1.258 | 4 |
| H45 | H38 | 1.377 | 4 |
| H45 | H38 | 1.258 | 4 |
| H46 | H39 | 1.377 | 4 |
| H46 | H39 | 1.258 | 4 |
| H27 | H40 | 1.377 | 4 |
| H27 | H40 | 1.258 | 4 |
| H28 | H41 | 1.377 | 4 |
| H28 | H41 | 1.258 | 4 |
| H47 | H42 | 2.060 | 1 |
| H48 | H43 | 2.060 | 1 |
| H25 | H44 | 1.258 | 4 |
| H26 | H45 | 1.258 | 4 |
| H49 | H46 | 5.762 | 1 |
| H54 | H47 | 4.043 | 1 |
| H53 | H48 | 2.865 | 1 |
| H50 | H49 | 5.476 | 1 |
| H24 | H50 | 0.881 | 1 |
| H22 | H51 | 0.881 | 1 |
| H23 | H52 | 0.881 | 1 |
| H51 | H53 | 3.659 | 1 |
| H52 | H54 | 3.659 | 1 |
NMR experiments
1: 1D 1H
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
2: 2D [1H,1H]-TOCSY
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
3: 1D 13C
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
4: 1D DEPT90
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
5: 1D DEPT135
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
6: 2D [1H,13C]-HSQC
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
7: 2D [1H,13C]-HMBC
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
8: 2D [1H,1H]-COSY
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
