Spektraris NMR
Lettowianthine
Common Name: Lettowianthine
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H11NO4/c21-17-15-11-4-2-1-3-10(11)14-13-9(7-12-18(14)24-8-23-12)5-6-20(16(13)15)19(17)22/h1-4,7H,5-6,8H2
InChIKey: InChIKey=FMLHJJVSHOCVAU-UHFFFAOYSA-N
Formula: C19H11N1O4
Molecular Weight: 317.295693
Exact Mass: 317.068808
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nkunya, M.H., Jonker, S.A., Makangara, J.J., Waibel, R., Achenbach, H. Phytochemistry (2000) 53, 1067-73
Species:
Notes: Family : Alkaloids, Type : Aporphines; 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) | 143.1 |
| 2 (C) | 151.5 |
| 3 (CH) | 109.2 |
| 3a (C) | 129.6 |
| 4 (CH2) | 27.5 |
| 5 (CH2) | 36.7 |
| 6a (C) | 153.7 |
| 7 (C) | 103.1 |
| 7a (C) | 126.9 |
| 8 (CH) | 123.6 |
| 9 (CH) | 128.3 |
| 10 (CH) | 125.3 |
| 11 (CH) | 127.6 |
| 11a (C) | 124.5 |
| 11b (C) | 119.9 |
| 11c (C) | 112.8 |
| 1' (CH2) | 102.3 |
| 1'' (C) | 160.3 |
| 2'' (C) | 179.9 |
