Lovastatin (C24H36O5)
BMRB entry bmse001335
Entry DOI: doi:10.13018/BMSE001335
Data source: National Magnetic Resonance Facility at Madison - Maria Nesterova, Paulo F. Cobra, John L. Markley
NMR-STAR file:
bmse001335.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse001335.molAll files for
bmse001335Time Domain Data:
bmse001335.zipSample and instrument details are given with the spectrum
Assigned chemical shifts
Set 1
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
| Atom ID | Value | Ambiguity Code |
|---|---|---|
| C1 | 11.3632 | 1 |
| C2 | 16.0599 | 1 |
| C3 | 22.5945 | 1 |
| C4 | 13.6404 | 1 |
| C5 | 26.3332 | 1 |
| C6 | 133.0634 | 1 |
| C7 | 128.2496 | 1 |
| C8 | 35.3325 | 1 |
| C9 | 23.6488 | 1 |
| C10 | 129.1691 | 1 |
| C11 | 32.3763 | 1 |
| C12 | 31.9045 | 1 |
| C13 | 38.5269 | 1 |
| C14 | 30.1257 | 1 |
| C15 | 40.6977 | 1 |
| C16 | 26.8973 | 1 |
| C17 | 131.5452 | 1 |
| C18 | 61.2518 | 1 |
| C19 | 67.4076 | 1 |
| C20 | 36.0098 | 1 |
| C21 | 75.7846 | 1 |
| C22 | 170.1983 | 1 |
| C23 | 36.3644 | 1 |
| C24 | 175.5477 | 1 |
| H30 | 0.8138 | 1 |
| H31 | 0.8138 | 1 |
| H32 | 0.8138 | 1 |
| H33 | 1.022 | 1 |
| H34 | 1.022 | 1 |
| H35 | 1.022 | 1 |
| H36 | 1.022 | 1 |
| H37 | 1.022 | 1 |
| H38 | 1.022 | 1 |
| H39 | 0.8375 | 1 |
| H40 | 0.8375 | 1 |
| H41 | 0.8375 | 1 |
| H42 | 1.3975 | 4 |
| H43 | 1.5464 | 4 |
| H44 | 5.7827 | 1 |
| H45 | 5.9538 | 1 |
| H46 | 1.755 | 4 |
| H47 | 1.6239 | 4 |
| H48 | 1.3408 | 4 |
| H49 | 1.2753 | 4 |
| H50 | 5.5064 | 1 |
| H51 | 1.2604 | 4 |
| H52 | 1.6895 | 4 |
| H53 | 1.9308 | 4 |
| H54 | 1.8265 | 4 |
| H55 | 2.3756 | 4 |
| H56 | 2.62 | 4 |
| H57 | 2.348 | 1 |
| H58 | 2.2901 | 1 |
| H59 | 2.3927 | 1 |
| H60 | 4.0986 | 1 |
| H61 | 5.2295 | 1 |
| H62 | 1.5974 | 1 |
| H63 | 4.46 | 1 |
| H64 | 2.299 | 1 |
NMR experiments
1: 1D 1H
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
2: 2D 1H-1H TOCSY
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
3: 1D 13C
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
4: 1D DEPT90
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
5: 1D DEPT135
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
6: 2D 1H-13C HSQC
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
7: 2D 1H-13C HSQC SW small
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
8: 2D 1H-13C HMBC
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
9: 2D 1H-1H COSY
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
10: 2D 1H-13C HSQC-TOCSY-ADIA
Sample: 10mg in DMSO, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
