Spektraris NMR
5,15-Rosadiene-3,11-dione
Common Name: 5,15-Rosadiene-3,11-dione
Synonyms: 5,15-Rosadiene-3,11-dione
CAS Registry Number:
InChI: InChI=1S/C20H28O2/c1-6-19(4)11-13-7-8-14-15(20(13,5)17(22)12-19)9-10-16(21)18(14,2)3/h6,8,13,15H,1,7,9-12H2,2-5H3/t13-,15-,19+,20-/m1/s1
InChIKey: InChIKey=UQTKYDBTHKZNKD-NIJZUDBWSA-N
Formula: C20H28O2
Molecular Weight: 300.435869
Exact Mass: 300.20893
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Feld, H., Zapp, J., Becker, H. Phytochemistry (2003) 64, 1335-40
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Rosanes; 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) | 25.2 |
| 2 (CH2) | 37.8 |
| 3 (C) | 214.6 |
| 4 (C) | 51 |
| 5 (C) | 144.2 |
| 6 (CH) | 118.2 |
| 7 (CH2) | 29 |
| 8 (CH) | 38.2 |
| 9 (C) | 49.4 |
| 10 (CH) | 38.6 |
| 11 (C) | 214.4 |
| 12 (CH2) | 48.5 |
| 13 (C) | 41.6 |
| 14 (CH2) | 38.4 |
| 15 (CH) | 147.7 |
| 16 (CH2) | 110.3 |
| 17 (CH3) | 23.5 |
| 18 (CH3) | 29.4 |
| 19 (CH3) | 22.8 |
| 20 (CH3) | 12 |
