Spektraris NMR
Annuionone E
Common Name: Annuionone E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C13H22O3/c1-9(14)4-5-11-12(2)6-10(15)7-13(11,3)16-8-12/h9,11,14H,4-8H2,1-3H3/t9?,11-,12-,13-/m1/s1
InChIKey: InChIKey=YLXMIDJRRREVMX-JINIMCQISA-N
Formula: C13H22O3
Molecular Weight: 226.312478
Exact Mass: 226.156895
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Macias, F.A., Lopez, A., Varela, R.M., Torres, A., Molinillo, J.M. Phytochemistry (2004) 65, 3057-63
Species:
Notes: Family : Terpenoids, Type : Miscellanea, Group : Megastigmanes; 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 (C) | 43.4 |
| 2 (CH2) | 48.6 |
| 3 (C) | 209.6 |
| 4 (CH2) | 49.4 |
| 5 (C) | 83.5 |
| 6 (CH) | 53.6 |
| 7 (CH2) | 21.4 |
| 8 (CH2) | 38.5 |
| 9 (CH) | 67.9 |
| 10 (CH3) | 23.7 |
| 11 (CH3) | 24.8 |
| 12 (CH3) | 20.7 |
| 13 (CH2) | 78.3 |
