(1R,2R,4R)-dihydrocarveol (C10H18O)
BMRB entry bmse000533
Entry DOI: doi:10.13018/BMSE000533
Data source: Madison Metabolomics Consortium - Francisca Jofre, Anne Badjeck, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse000533.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000533.molAll files for
bmse000533Time Domain Data:
bmse000533.zipSample and instrument details are given with the spectrum
Assigned chemical shifts
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 |
|---|---|---|---|
| C8 | C2 | 40.398 | 1 |
| C9 | C3 | 44.518 | 1 |
| C10 | C4 | 76.778 | 1 |
| C6 | C5 | 40.938 | 1 |
| C4 | C6 | 33.618 | 1 |
| C5 | C7 | 31.458 | 1 |
| C3 | C8 | 18.698 | 1 |
| C7 | C9 | 149.788 | 1 |
| C2 | C10 | 21.238 | 1 |
| C1 | C11 | 108.958 | 1 |
| H26 | H12 | 1.214 | 4 |
| H27 | H13 | 2.010 | 4 |
| H28 | H14 | 3.194 | 1 |
| H24 | H15 | 2.010 | 4 |
| H25 | H16 | 1.214 | 4 |
| H20 | H17 | 1.766 | 4 |
| H21 | H18 | 1.085 | 4 |
| H22 | H19 | 1.766 | 4 |
| H23 | H20 | 1.689 | 4 |
| H19 | H21 | 1.034 | 1 |
| H17 | H22 | 1.034 | 1 |
| H18 | H23 | 1.034 | 1 |
| H29 | H24 | 1.034 | |
| H14 | H25 | 1.725 | 1 |
| H16 | H26 | 1.725 | 1 |
| H15 | H27 | 1.725 | 1 |
| H12 | H28 | 4.698 | 1 |
| H13 | H29 | 4.698 | 1 |
NMR experiments
1: 1D 1H
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
2: 2D [1H,1H]-TOCSY
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
![Spectrum for experiment #2: 2D [1H,1H]-TOCSY](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000533/nmr/set01/spectra/HH_TOCSY.png)
3: 1D 13C
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
4: 1D DEPT90
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
5: 1D DEPT135
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
6: 2D [1H,13C]-HSQC
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
![Spectrum for experiment #6: 2D [1H,13C]-HSQC](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000533/nmr/set01/spectra/1H_13C_HSQC.png)
7: 2D [1H,13C]-HMBC
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
![Spectrum for experiment #7: 2D [1H,13C]-HMBC](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000533/nmr/set01/spectra/1H_13C_HMBC.png)
8: 2D [1H,1H]-COSY
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
![Spectrum for experiment #8: 2D [1H,1H]-COSY](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000533/nmr/set01/spectra/HH_COSY.png)