Spektraris NMR
2-Oxo-5-epi-fagonene
Common Name: 2-Oxo-5-epi-fagonene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O3/c1-13-9-15(22)10-16-19(13,3)6-5-14-11-18(2,17(23)12-21)7-8-20(14,16)4/h9,14,16-17,21,23H,5-8,10-12H2,1-4H3/t14-,16-,17+,18-,19+,20-/m0/s1
InChIKey: InChIKey=UBCRZTCACCTRMI-MWVHYEFZSA-N
Formula: C20H32O3
Molecular Weight: 320.467037
Exact Mass: 320.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Abdelkader, M.S., Omar, A.A., Abdelsalam, N.A., Stermitz, F.R. Phytochemistry (1994) 36, 1431-3
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Erythroxanes; 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) | 34.4 |
| 2 (C) | 200.7 |
| 3 (CH) | 125.5 |
| 4 (C) | 172.6 |
| 5 (C) | 36.4 |
| 6 (CH2) | 35.7 |
| 7 (CH2) | 34.1 |
| 8 (CH) | 41.3 |
| 9 (C) | 36.7 |
| 10 (CH) | 52.9 |
| 11 (CH2) | 25.5 |
| 12 (CH2) | 29 |
| 13 (C) | 42.1 |
| 14 (CH2) | 36.1 |
| 15 (CH) | 81 |
| 16 (CH2) | 62.5 |
| 17 (CH3) | 18.8 |
| 18 (CH3) | 18.9 |
| 19 (CH3) | 19.1 |
| 20 (CH3) | 12.1 |
