Spektraris NMR
Scorpinone
Common Name: Scorpinone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H13NO4/c1-8-4-10-12(7-17-8)16(19)14-11(15(10)18)5-9(20-2)6-13(14)21-3/h4-7H,1-3H3
InChIKey: InChIKey=ZEJGLXXBAAPUPK-UHFFFAOYSA-N
Formula: C16H13N1O4
Molecular Weight: 283.279367
Exact Mass: 283.084458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Miljkovic, A., Mantle, P.G., Williams, D.J., Rassing, B. J Nat Prod (2001) 64, 1251-3
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 |
|---|---|
| 1 (CH) | 149.2 |
| 3 (C) | 164.1 |
| 4 (CH) | 117.9 |
| 4a (C) | 125.4 |
| 5 (CH) | 103.6 |
| 6 (C) | 164.9 |
| 7 (CH) | 105.4 |
| 8 (C) | 162.7 |
| 8a (C) | 115.6 |
| 9 (C) | 180.5 |
| 9a (C) | 137.5 |
| 10 (C) | 183.5 |
| 10a (C) | 136.9 |
| 1' (CH3) | 24.7 |
| 1'' (CH3) | 56.1 |
| 1''' (CH3) | 56.6 |
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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.