Spektraris NMR
kirkine
Common Name: kirkine
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H19NO3/c1-20-14-7-11-10(6-13(14)19)8-17-5-4-9-2-3-12(18)15(11)16(9)17/h4,6-7,12,15-16,18-19H,2-3,5,8H2,1H3/t12-,15-,16+/m1/s1
InChIKey: InChIKey=YEFBSQNJHVGKAM-WQVCFCJDSA-N
Formula: C16H19N1O3
Molecular Weight: 273.327607
Exact Mass: 273.136493
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Biechy, A., Hachisu, S., Quiclet-Sire, B., Ricard, L., Zard, S.Z. Angew Chem Int Ed (2008) 47, 1436-8
Species:
Notes: Family : Alkaloids, Type : Pyrrolo[d,e]phenanthridines; 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) | 65.4 |
| 2 (CH2) | 26.2 |
| 3 (CH2) | 34.7 |
| 4 (C) | 133.9 |
| 4a (CH) | 71.2 |
| 6 (CH2) | 66.2 |
| 6a (C) | 124.8 |
| 7 (CH) | 115.3 |
| 8 (C) | 149.1 |
| 9 (C) | 150.2 |
| 10 (CH) | 111.9 |
| 10a (C) | 123.7 |
| 10b (CH) | 42.1 |
| 11 (CH) | 123.2 |
| 12 (CH2) | 67.5 |
| 1' (CH3) | 56.2 |
