Spektraris NMR
6β-Hydroxyannonene
Common Name: 6β-Hydroxyannonene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-14-6-5-7-17-19(3,10-8-16-9-11-22-13-16)15(2)12-18(21)20(14,17)4/h6,9,11,13,15,17-18,21H,5,7-8,10,12H2,1-4H3/t15-,17-,18-,19+,20+/m1/s1
InChIKey: InChIKey=PLEOFMLHVUEEMZ-XLSIIYIISA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Silveira, E.R., McChesney, J.D. Phytochemistry (1994) 36, 1457-63
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 17.9 |
| 2 (CH2) | 26.9 |
| 3 (CH) | 125.3 |
| 4 (C) | 140.6 |
| 5 (C) | 43.6 |
| 6 (CH) | 71.4 |
| 7 (CH2) | 38.5 |
| 8 (CH) | 28.8 |
| 9 (C) | 38.7 |
| 10 (CH) | 39.1 |
| 11 (CH2) | 33.1 |
| 12 (CH2) | 18.3 |
| 13 (C) | 125.7 |
| 14 (CH) | 111 |
| 15 (CH) | 138.4 |
| 16 (CH) | 142.6 |
| 17 (CH3) | 15.5 |
| 18 (CH3) | 17.4 |
| 19 (CH3) | 20.5 |
| 20 (CH3) | 18 |
