Spektraris NMR
7-Oxoroyleanone-12-methyl ether
Common Name: 7-Oxoroyleanone-12-methyl ether
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O4/c1-11(2)14-17(23)15-12(22)10-13-20(3,4)8-7-9-21(13,5)16(15)18(24)19(14)25-6/h11,13H,7-10H2,1-6H3/t13-,21-/m0/s1
InChIKey: InChIKey=CFPFANOEFGAPMD-ZSEKCTLFSA-N
Formula: C21H28O4
Molecular Weight: 344.445415
Exact Mass: 344.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kabouche, A., Kabouche, Z., Ozturk, M., Kolak, U., Topcu, G. Food Chemistry (2007) 102, 1281-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 36.85 |
| 2 (CH2) | 18.24 |
| 3 (CH2) | 40.71 |
| 4 (C) | 33.28 |
| 5 (CH) | 49.16 |
| 6 (CH2) | 35.54 |
| 7 (C) | 196.94 |
| 8 (C) | 130.72 |
| 9 (C) | 159.12 |
| 10 (C) | 39.97 |
| 11 (C) | 185.03 |
| 12 (C) | 156.39 |
| 13 (C) | 136.43 |
| 14 (C) | 185.03 |
| 15 (CH) | 24.62 |
| 16 (CH3) | 20.28 |
| 17 (CH3) | 20.28 |
| 18 (CH3) | 32.62 |
| 19 (CH3) | 21.22 |
| 20 (CH3) | 18.23 |
| 12a (CH3) | 60.37 |
