Spektraris NMR
Neoboutonin
Common Name: Neoboutonin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H18O4/c1-8-5-9-10(6-12(8)18)14-11(7-13(9)21-4)17(2,3)16(20)15(14)19/h5-7,16,18,20H,1-4H3
InChIKey: InChIKey=PYGWCJYJAFKWQP-UHFFFAOYSA-N
Formula: C17H18O4
Molecular Weight: 286.323064
Exact Mass: 286.120509
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tchinda, A.T., Tsopmo, A., Tene, M., Kamnaing, P., Ngnokam, D., Tane, P., Ayafor, J.F., Connolly, J.D., Farrugia, L.J. Phytochemistry (2003) 64, 575-81
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Daphnanes; 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) | 205.3 |
| 2 (CH) | 64.6 |
| 3 (C) | 44.7 |
| 4 (C) | 167.6 |
| 5 (CH) | 97.9 |
| 6 (C) | 146.6 |
| 7 (C) | 119.6 |
| 8 (C) | 132.6 |
| 9 (C) | 120.9 |
| 10 (CH) | 107.2 |
| 11 (C) | 159.2 |
| 12 (C) | 128.2 |
| 13 (CH) | 125.5 |
| 14 (CH3) | 17.5 |
| 15 (CH3) | 26.3 |
| 16 (CH3) | 26.9 |
| 6a (CH3) | 57 |
