Spektraris NMR
3-(7-hydroxy-9H-β-carboline-1-yl)propanoic acid
Common Name: 3-(7-hydroxy-9H-β-carboline-1-yl)propanoic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C14H12N2O3/c17-8-1-2-9-10-5-6-15-11(3-4-13(18)19)14(10)16-12(9)7-8/h1-2,5-7,16-17H,3-4H2,(H,18,19)
InChIKey: InChIKey=LGPMETHHCBEDNW-UHFFFAOYSA-N
Formula: C14H11N2O3
Molecular Weight: 255.249352
Exact Mass: 255.076967
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Kanchanapoom T., Kasai R., Chumsri P., Hiraga Y., Yamasaki K. Phytochemistry (2001) 56, 383-6
Species:
Notes: Family : Alkaloids, Type : b-Carbolines, Group : Canthinones; 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) | 142.9 |
| 3 (CH) | 137.4 |
| 4 (CH) | 111.8 |
| 5 (CH) | 122.5 |
| 6 (CH) | 109.7 |
| 7 (C) | 158.3 |
| 8 (CH) | 96.6 |
| 9 (C) | 142.3 |
| 10 (C) | 113.8 |
| 11 (C) | 127.8 |
| 12 (C) | 133.9 |
| 1a (CH2) | 31.6 |
| 1b (CH2) | 27.9 |
| 1c (C) | 174.2 |
