Spektraris NMR
6-Oxoannonene
Common Name: 6-Oxoannonene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O2/c1-14-6-5-7-17-19(3,10-8-16-9-11-22-13-16)15(2)12-18(21)20(14,17)4/h6,9,11,13,15,17H,5,7-8,10,12H2,1-4H3/t15-,17-,19+,20+/m1/s1
InChIKey: InChIKey=OOYDLGPKPDZIFK-BEKAIBRUSA-N
Formula: C20H28O2
Molecular Weight: 300.435869
Exact Mass: 300.20893
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Silveira, E.R., McChesney, J.D. Phytochemistry (1994) 36, 1457-63
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 18.4 |
| 2 (CH2) | 26.6 |
| 3 (CH) | 123.6 |
| 4 (C) | 139.4 |
| 5 (C) | 55.1 |
| 6 (C) | 214 |
| 7 (CH2) | 43.7 |
| 8 (CH) | 41.2 |
| 9 (C) | 38.9 |
| 10 (CH) | 50.4 |
| 11 (CH2) | 39.2 |
| 12 (CH2) | 18.3 |
| 13 (C) | 125 |
| 14 (CH) | 110.8 |
| 15 (CH) | 138.4 |
| 16 (CH) | 142.7 |
| 17 (CH3) | 16.1 |
| 18 (CH3) | 18.7 |
| 19 (CH3) | 19.7 |
| 20 (CH3) | 19.1 |
