Spektraris NMR
3α,4α-Epoxyrupicolin E
Common Name: 3α,4α-Epoxyrupicolin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O6/c1-9(2)6-14(21)24-12-7-10(3)20(23)8-13-19(5,26-13)17(20)16-15(12)11(4)18(22)25-16/h9,12-13,15-17,23H,3-4,6-8H2,1-2,5H3/t12-,13+,15+,16-,17-,19+,20+/m0/s1
InChIKey: InChIKey=VPTHCOKQTNDOOK-MGIDFPFASA-N
Formula: C20H26O6
Molecular Weight: 362.417607
Exact Mass: 362.172939
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jin, H.Z., Lee, J.H., Lee, D., Hong, Y.S., Kim, Y.H., Lee, J.J. Phytochemistry (2004) 65, 2247-53
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (C) | 82.02 |
| 2 (CH2) | 40.79 |
| 3 (CH) | 64.5 |
| 4 (C) | 67.59 |
| 5 (CH) | 61.25 |
| 6 (CH) | 75.47 |
| 7 (CH) | 46.66 |
| 8 (CH) | 73.06 |
| 9 (CH2) | 35.41 |
| 10 (C) | 140.91 |
| 11 (C) | 136.79 |
| 12 (C) | 168.74 |
| 13 (CH2) | 122.72 |
| 14 (CH2) | 118.22 |
| 15 (CH3) | 18.8 |
| 8a (C) | 172.56 |
| 8b (CH2) | 43.79 |
| 8c (CH) | 25.86 |
| 8d (CH3) | 22.65 |
| 8ca (CH3) | 22.67 |
