Spektraris NMR
7-O-Acetyl-2-oxo-5-epi-fagonene
Common Name: 7-O-Acetyl-2-oxo-5-epi-fagonene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O5/c1-13-8-15(25)9-18-21(4)7-6-20(3,19(26)12-23)10-16(21)17(27-14(2)24)11-22(13,18)5/h8,16-19,23,26H,6-7,9-12H2,1-5H3/t16-,17+,18-,19-,20+,21+,22-/m1/s1
InChIKey: InChIKey=AKGPGMWXHSRVTN-QXDZREBPSA-N
Formula: C22H34O5
Molecular Weight: 378.5032
Exact Mass: 378.240624
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) | 34.3 |
| 2 (C) | 199.7 |
| 3 (CH) | 125.5 |
| 4 (C) | 170.8 |
| 5 (C) | 36 |
| 6 (CH2) | 41.7 |
| 7 (CH) | 70.4 |
| 8 (CH) | 45.5 |
| 9 (C) | 40.6 |
| 10 (CH) | 52.3 |
| 11 (CH2) | 29.5 |
| 12 (CH2) | 28.5 |
| 13 (C) | 37.6 |
| 14 (CH2) | 34.3 |
| 15 (CH) | 80.7 |
| 16 (CH2) | 62.4 |
| 17 (CH3) | 18.8 |
| 18 (CH3) | 19 |
| 19 (CH3) | 19.9 |
| 20 (CH3) | 13.2 |
| 7a (C) | 170.8 |
| 7b (CH3) | 21.3 |
