Spektraris NMR
Obliquine
Common Name: Obliquine
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H28N2O5/c1-27-23-12-19(31-2)7-9-26(23)20-13-22-21(32-15-33-22)11-17(20)14-28(24(26)25(27)30)10-8-16-3-5-18(29)6-4-16/h3-7,9,11,13,19,23-24,29H,8,10,12,14-15H2,1-2H3/t19-,23+,24-,26+/m1/s1
InChIKey: InChIKey=MNZZTIOCKJEHEP-XVZHEKKHSA-N
Formula: C26H28N2O5
Molecular Weight: 448.511985
Exact Mass: 448.199822
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Brine N.D., Campbell W.E., Bastida J., Herrera M.R., Viladomat F., Codina C., Smith P.J. Phytochemistry (2002) 61, 443-47
Species:
Notes: Family : Alkaloids; 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) | 136.5 |
| 2 (CH) | 124.3 |
| 3 (CH) | 71.2 |
| 4 (CH2) | 30.4 |
| 5 (CH) | 61.6 |
| 6 (CH2) | 50.5 |
| 7 (CH) | 106 |
| 8 (C) | 146.8 |
| 9 (C) | 146.9 |
| 10 (CH) | 108.4 |
| 11 (C) | 130.5 |
| 12 (C) | 129.1 |
| 13 (CH) | 66 |
| 14 (C) | 172.3 |
| 15 (C) | 44.4 |
| 1' (CH2) | 56.8 |
| 2' (CH2) | 33.8 |
| 3' (C) | 132 |
| 4' (CH) | 129.8 |
| 5' (CH) | 115.2 |
| 6' (C) | 154.3 |
| 7' (CH) | 115.2 |
| 8' (CH) | 129.8 |
| 3a (CH3) | 56.5 |
| 5a (CH3) | 27.7 |
| 8a (CH2) | 100.9 |
