Spektraris NMR
Kalasinamide
Common Name: Kalasinamide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H15NO3/c1-9-8-12(18)17-14-13(9)15(19-2)10-6-4-5-7-11(10)16(14)20-3/h4-8H,1-3H3,(H,17,18)
InChIKey: InChIKey=UAOWKPPYWUJTPK-UHFFFAOYSA-N
Formula: C16H14N1O3
Molecular Weight: 268.287903
Exact Mass: 268.097368
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gandy, M.N., Piggott, M.J. J Nat Prod (2008) 71, 866-8
Species:
Notes: Family : Aromatics, Type : Anthraquinones, Group : Azaanthraquinones; 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 |
|---|---|
| 2 (C) | 161.8 |
| 3 (CH) | 123.1 |
| 4 (C) | 148.6 |
| 4a (C) | 114 |
| 5 (CH) | 123.5 |
| 6 (CH) | 124.6 |
| 7 (CH) | 127.8 |
| 8 (CH) | 121.1 |
| 8a (C) | 128.1 |
| 9 (C) | 136 |
| 9a (C) | 128.2 |
| 10 (C) | 151.6 |
| 10a (C) | 123.9 |
| 1' (CH3) | 23.3 |
| 1'' (CH3) | 61.9 |
| 1''' (CH3) | 64 |
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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.