Spektraris NMR
Rubiadin-1-methyl ether
Common Name: Rubiadin-1-methyl ether
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H12O4/c1-8-12(17)7-11-13(16(8)20-2)15(19)10-6-4-3-5-9(10)14(11)18/h3-7,17H,1-2H3
InChIKey: InChIKey=NTBUBTCXACOEEC-UHFFFAOYSA-N
Formula: C16H12O4
Molecular Weight: 268.264683
Exact Mass: 268.073559
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Wu, Y.B., Zheng, C.J., Qin, L.P., Sun, L.N., Han, T., Jiao, L., Zhang, Q.Y., Wu, J.Z. Molecules (2009) 14, 573-83
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) | 160.1 |
| 2 (C) | 134.4 |
| 3 (C) | 161.5 |
| 4 (CH) | 108.9 |
| 4a (C) | 133.2 |
| 5 (CH) | 126 |
| 6 (CH) | 133.7 |
| 7 (CH) | 134.5 |
| 8 (CH) | 126.6 |
| 8a (C) | 135 |
| 9 (C) | 182.5 |
| 9a (C) | 108.9 |
| 10 (C) | 180.1 |
| 10a (C) | 133 |
| 1a (CH3) | 60.5 |
| 2a (CH3) | 9.5 |
