Spektraris NMR
Pubescenone
Common Name: Pubescenone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H26O3/c1-6-18(4)10-12-7-8-17(2,3)16-13(9-15(21)22-16)19(12,5)11-14(18)20/h6,9,12,16H,1,7-8,10-11H2,2-5H3/t12-,16+,18+,19-/m0/s1
InChIKey: InChIKey=XGSHVHUXGRNZTJ-GJGHSUIPSA-N
Formula: C19H26O3
Molecular Weight: 302.408656
Exact Mass: 302.188195
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Grace, M.H., Jin, Y., Wilson, G.R., Coates, R.M. Phytochemistry (2006) 67, 1708-15
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Miscellanea; 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 (CH) | 118.4 |
| 2 (C) | 179.8 |
| 4 (CH) | 89.7 |
| 5 (C) | 43.2 |
| 6 (CH2) | 42.9 |
| 7 (CH2) | 34.4 |
| 8 (CH) | 40 |
| 9 (C) | 39.2 |
| 10 (C) | 172.6 |
| 11 (CH2) | 53.8 |
| 12 (C) | 210.6 |
| 13 (C) | 50.2 |
| 14 (CH2) | 42.6 |
| 15 (CH) | 141.6 |
| 16 (CH2) | 113.5 |
| 17 (CH3) | 18.8 |
| 18 (CH3) | 20.1 |
| 19 (CH3) | 30.1 |
| 20 (CH3) | 23.5 |
