Spektraris NMR
Ballotinone
Common Name: Ballotinone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O5/c1-12-14(21)15-16-18(2,17(22)25-15)7-4-8-19(16,3)20(12,23)9-5-13-6-10-24-11-13/h6,10-12,15-16,23H,4-5,7-9H2,1-3H3/t12-,15-,16+,18+,19+,20-/m1/s1
InChIKey: InChIKey=XOYLONZCXCRVKZ-XTDUBZMBSA-N
Formula: C20H26O5
Molecular Weight: 346.418202
Exact Mass: 346.178024
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hussein, A.A., Jimeno, M.L., Rodriguez, B. Magn Reson Chem (2007) 45, 899-901
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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 (CH2) | 28.84 |
| 2 (CH2) | 17.8 |
| 3 (CH2) | 28.84 |
| 4 (C) | 41.57 |
| 5 (CH) | 44.56 |
| 6 (CH) | 75.56 |
| 7 (C) | 209.36 |
| 8 (CH) | 51.36 |
| 9 (C) | 77.75 |
| 10 (C) | 40.6 |
| 11 (CH2) | 37.76 |
| 12 (CH2) | 18.07 |
| 13 (C) | 124.22 |
| 14 (CH) | 110.61 |
| 15 (CH) | 143.13 |
| 16 (CH) | 138.71 |
| 17 (CH3) | 15.68 |
| 18 (CH3) | 26.28 |
| 19 (C) | 180.35 |
| 20 (CH3) | 17.88 |
