Spektraris NMR
3-hydroxyrutaecarpine
Common Name: 3-hydroxyrutaecarpine
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H13N3O2/c22-10-5-6-15-13(9-10)18(23)21-8-7-12-11-3-1-2-4-14(11)19-16(12)17(21)20-15/h1-6,9,19,22H,7-8H2
InChIKey: InChIKey=NDJIQTYBQIKAGG-UHFFFAOYSA-N
Formula: C18H12N3O2
Molecular Weight: 302.307574
Exact Mass: 302.092952
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Li, X.C., Dunbar, D.C., ElSohly, H.N., Walker, L.A., Clark, A.M. Phytochemistry (2001) 58, 627-9
Species:
Notes: Family : Alkaloids, Type : b-Carbolines, Group : Indolopyridoquinazolines; 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) | 128.2 |
| 2 (CH) | 123.9 |
| 3 (C) | 155 |
| 4 (CH) | 109.7 |
| 5 (C) | 160.3 |
| 7 (CH2) | 40.9 |
| 8 (CH2) | 19 |
| 9 (CH) | 119.7 |
| 10 (CH) | 119.6 |
| 11 (CH) | 124.3 |
| 12 (CH) | 112.3 |
| 1a (C) | 140.5 |
| 4a (C) | 121.7 |
| 8a (C) | 116.6 |
| 9a (C) | 125 |
| 12a (C) | 138.4 |
| 13a (C) | 127.3 |
| 14a (C) | 142.6 |
