Spektraris NMR
samoquaside A
Common Name: samoquaside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C12H8N2O/c15-12-10-7-14-11-4-2-1-3-9(11)8(10)5-6-13-12/h1-7H,(H,13,15)
InChIKey: InChIKey=ULIAUQBOGQCMQM-UHFFFAOYSA-N
Formula: C12H7N2O1
Molecular Weight: 195.197307
Exact Mass: 195.055838
NMR Solvent:
MHz:
Calibration:
NMR references: 13C - Timmons, C., Wipf, P. J Org Chem (2008) 73, 9168-70
Species:
Notes: Family : Alkaloids, Type : Benzo[c][2,7]naphthyridines; 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) | 164 |
| 3 (CH) | 132.8 |
| 4 (CH) | 101.6 |
| 5 (CH) | 125 |
| 6 (CH) | 128.7 |
| 7 (CH) | 130.4 |
| 8 (CH) | 136 |
| 10 (CH) | 150.5 |
| 4a (C) | 118.7 |
| 4b (C) | 123.6 |
| 8a (C) | 144.3 |
| 10a (C) | 148.5 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.