Spektraris NMR
3β-Hydroxyballotinone
Common Name: 3β-Hydroxyballotinone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O6/c1-11-14(22)15-16-18(2,7-5-13(21)19(16,3)17(23)26-15)20(11,24)8-4-12-6-9-25-10-12/h6,9-11,13,15-16,21,24H,4-5,7-8H2,1-3H3/t11-,13+,15-,16-,18+,19+,20-/m1/s1
InChIKey: InChIKey=OECLENDLQGNWET-JGDLOVFJSA-N
Formula: C20H26O6
Molecular Weight: 362.417607
Exact Mass: 362.172939
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) | 27.83 |
| 2 (CH2) | 28.24 |
| 3 (CH) | 73.5 |
| 4 (C) | 44.13 |
| 5 (CH) | 45.91 |
| 6 (CH) | 75.95 |
| 7 (C) | 208.27 |
| 8 (CH) | 51.64 |
| 9 (C) | 77.48 |
| 10 (C) | 40.83 |
| 11 (CH2) | 37.8 |
| 12 (CH2) | 18.02 |
| 13 (C) | 123.97 |
| 14 (CH) | 110.54 |
| 15 (CH) | 143.35 |
| 16 (CH) | 138.79 |
| 17 (CH3) | 15.76 |
| 18 (CH3) | 23.21 |
| 19 (C) | 179.96 |
| 20 (CH3) | 17.7 |
