Spektraris NMR
Dielsiquinone
Common Name: Dielsiquinone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H11NO4/c1-7-10-11(16-15(19)14(7)20-2)13(18)9-6-4-3-5-8(9)12(10)17/h3-6H,1-2H3,(H,16,19)
InChIKey: InChIKey=AZTABGJRYQJTCL-UHFFFAOYSA-N
Formula: C15H10N1O4
Molecular Weight: 268.244809
Exact Mass: 268.060983
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Soonthornchareonnon, N., Suwanborirux, K., Bavovada, R., Patarapanich, C., Cassady, J.M. J Nat Prod (1999) 62, 1390-4
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) | 156.8 |
| 3 (C) | 152.8 |
| 4 (C) | 134.7 |
| 4a (C) | 119.7 |
| 5 (CH) | 126.5 |
| 6 (CH) | 133.6 |
| 7 (CH) | 135.4 |
| 8 (CH) | 127.5 |
| 8a (C) | 130 |
| 9 (C) | 182 |
| 9a (C) | 137.6 |
| 10 (C) | 177.4 |
| 10a (C) | 128.9 |
| 1' (CH3) | 13.9 |
| 3a (CH3) | 60 |
