Spektraris NMR
2-hydroxyemodin 1-methyl ether
Common Name: 2-hydroxyemodin 1-methyl ether
Synonyms: 2-hydroxyemodin 1-methyl ether
CAS Registry Number:
InChI: InChI=1S/C16H12O6/c1-6-3-8-12(16(22-2)13(6)19)15(21)11-9(14(8)20)4-7(17)5-10(11)18/h3-5,17-19H,1-2H3
InChIKey: InChIKey=JGWNHIDADWFGIJ-UHFFFAOYSA-N
Formula: C16H12O6
Molecular Weight: 300.263493
Exact Mass: 300.063388
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Lin, L.C., Chou, C.J., Kuo, Y.C. J Nat Prod (2001) 64, 674-6
Species:
Notes: Family : Aromatics, Type : Anthraquinones, Group : Anthraquinones; 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) | 147.9 |
| 2 (C) | 156.5 |
| 3 (C) | 132.6 |
| 4 (CH) | 126.7 |
| 4a (C) | 125.6 |
| 5 (CH) | 107.8 |
| 6 (C) | 164.9 |
| 7 (CH) | 108.1 |
| 8 (C) | 165.3 |
| 8a (C) | 111 |
| 9 (C) | 187.2 |
| 9a (C) | 124.4 |
| 10 (C) | 181.6 |
| 10a (C) | 135.3 |
| 1a (CH3) | 61.9 |
| 3a (CH3) | 17.2 |
