Spektraris NMR
7a-Acetoxyroyleanone-12-methyl ether
Common Name: 7a-Acetoxyroyleanone-12-methyl ether
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H32O5/c1-12(2)16-19(25)17-14(28-13(3)24)11-15-22(4,5)9-8-10-23(15,6)18(17)20(26)21(16)27-7/h12,14-15H,8-11H2,1-7H3/t14-,15+,23+/m1/s1
InChIKey: InChIKey=HVXKGENJXCZFSW-USGALAMMSA-N
Formula: C23H32O5
Molecular Weight: 388.498054
Exact Mass: 388.224974
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) | 36.25 |
| 2 (CH2) | 16.24 |
| 3 (CH2) | 41.51 |
| 4 (C) | 33.29 |
| 5 (CH) | 46.63 |
| 6 (CH2) | 25.23 |
| 7 (CH) | 64.75 |
| 8 (C) | 137.32 |
| 9 (C) | 152.84 |
| 10 (C) | 39.53 |
| 11 (C) | 183.81 |
| 12 (C) | 156.89 |
| 13 (C) | 136.17 |
| 14 (C) | 186.35 |
| 15 (CH) | 24.99 |
| 16 (CH3) | 20.98 |
| 17 (CH3) | 20.64 |
| 18 (CH3) | 33.37 |
| 19 (CH3) | 22.04 |
| 20 (CH3) | 19.13 |
| 7a (C) | 169.55 |
| 7b (CH3) | 21.48 |
| 12a (CH3) | 60.87 |
