Spektraris NMR
Calliterpenone
Common Name: Calliterpenone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O3/c1-17(2)14-6-9-19-10-13(20(23,11-19)12-21)4-5-15(19)18(14,3)8-7-16(17)22/h13-15,21,23H,4-12H2,1-3H3/t13-,14+,15-,18+,19+,20+/m1/s1
InChIKey: InChIKey=MPDUJZZNNBJFAB-NBUFYSGYSA-N
Formula: C20H32O3
Molecular Weight: 320.467037
Exact Mass: 320.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Liu, G., Muller, R., Ruedi, P. Helv Chim Acta (2003) 86, 420-38
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Phyllocladanes; 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) | 38.1 |
| 2 (CH2) | 33.9 |
| 3 (C) | 217.8 |
| 4 (C) | 47.3 |
| 5 (CH) | 55.2 |
| 6 (CH2) | 21.2 |
| 7 (CH2) | 40.6 |
| 8 (C) | 43.4 |
| 9 (CH) | 55.7 |
| 10 (C) | 37.1 |
| 11 (CH2) | 19.6 |
| 12 (CH2) | 26.6 |
| 13 (CH) | 43.9 |
| 14 (CH2) | 48 |
| 15 (CH2) | 44.5 |
| 16 (C) | 84.4 |
| 17 (CH2) | 65.4 |
| 18 (CH3) | 26.7 |
| 19 (CH3) | 21.5 |
| 20 (CH3) | 14.7 |
