Spektraris NMR
12-Deoxyroyleanone
Common Name: 12-Deoxyroyleanone
Synonyms: 12-Deoxyroyleanone
CAS Registry Number:
InChI: InChI=1S/C20H28O2/c1-12(2)14-11-15(21)17-13(18(14)22)7-8-16-19(3,4)9-6-10-20(16,17)5/h11-12,16H,6-10H2,1-5H3/t16-,20-/m0/s1
InChIKey: InChIKey=MGLVTTCGMPKDDR-JXFKEZNVSA-N
Formula: C20H28O2
Molecular Weight: 300.435869
Exact Mass: 300.20893
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tan N., Kaloga M., Radtke O.A., Kiderlen A.F., Öksüz S., Ulubelen A., Kolodziej H. Phytochemistry (2002) 61, 881-84
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) | 36.5 |
| 2 (CH2) | 19 |
| 3 (CH2) | 41.4 |
| 4 (C) | 33.6 |
| 5 (CH) | 51.6 |
| 6 (CH2) | 17.4 |
| 7 (CH2) | 26 |
| 8 (C) | 142.7 |
| 9 (C) | 150.9 |
| 10 (C) | 38.5 |
| 11 (C) | 188 |
| 12 (CH) | 132 |
| 13 (C) | 152.8 |
| 14 (C) | 188.1 |
| 15 (CH) | 26.3 |
| 16 (CH3) | 21.4 |
| 17 (CH3) | 21.4 |
| 18 (CH3) | 33.5 |
| 19 (CH3) | 21.8 |
| 20 (CH3) | 20.2 |
