Spektraris NMR
CHEMBL2047319
Common Name: CHEMBL2047319
Synonyms: CHEMBL2047319
CAS Registry Number:
InChI: InChI=1S/C16H12O6/c1-6-3-7-8(4-9(6)17)14(19)12-10(18)5-11(22-2)16(21)13(12)15(7)20/h3-5,17-18,21H,1-2H3
InChIKey: InChIKey=ORHOPRCDKRZBSX-UHFFFAOYSA-N
Formula: C16H12O6
Molecular Weight: 300.263493
Exact Mass: 300.063388
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Xia, X.K., Huang, H.R., She, Z.G., Shao, C.L., Liu, F., Cai, X.L., Vrijmoed, L.L., Lin, Y.C. Magn Reson Chem (2007) 45, 1006-9
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) | 149.2 |
| 2 (C) | 157.5 |
| 3 (CH) | 106.4 |
| 4 (C) | 159.5 |
| 4a (C) | 105.4 |
| 5 (CH) | 110.9 |
| 6 (C) | 162 |
| 7 (C) | 131.8 |
| 8 (CH) | 129.5 |
| 8a (C) | 133.6 |
| 9 (C) | 185.8 |
| 9a (C) | 111.6 |
| 10 (C) | 184.9 |
| 10a (C) | 124.2 |
| 2a (CH3) | 56.5 |
| 7a (CH3) | 16.1 |
