Spektraris NMR
Varodione
Common Name: Varodione
Synonyms: Varodione
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-7-19(5)16(22)12-14-18(4)10-9-15(21)17(2,3)13(18)8-11-20(14,6)23-19/h7,13-14H,1,8-12H2,2-6H3/t13-,14+,18-,19+,20+/m1/s1
InChIKey: InChIKey=BGQJYLXYKHRJEI-URYUKNHISA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Garcia-Granados, A., Jimenez, M.B., Martinez, A., Parra, A., Rivas, F., Arias, J.M. Phytochemistry (1994) 37, 741-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 37.3 |
| 2 (CH2) | 33.7 |
| 3 (C) | 216.3 |
| 4 (C) | 47.3 |
| 5 (CH) | 54.5 |
| 6 (CH2) | 20.7 |
| 7 (CH2) | 41.3 |
| 8 (C) | 75.1 |
| 9 (CH) | 54 |
| 10 (C) | 36.5 |
| 11 (CH2) | 33.8 |
| 12 (C) | 210.6 |
| 13 (C) | 82.2 |
| 14 (CH) | 142.3 |
| 15 (CH2) | 113.3 |
| 16 (CH3) | 28.6 |
| 17 (CH3) | 21.9 |
| 18 (CH3) | 26.6 |
| 19 (CH3) | 21.3 |
| 20 (CH3) | 14.3 |
