Spektraris NMR
1-Methoxy-3,6-dihydroxy-2-hydroxymethyl-9,10-anthraquinone
Common Name: 1-Methoxy-3,6-dihydroxy-2-hydroxymethyl-9,10-anthraquinone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H12O6/c1-22-16-11(6-17)12(19)5-10-13(16)15(21)8-3-2-7(18)4-9(8)14(10)20/h2-5,17-19H,6H2,1H3
InChIKey: InChIKey=RDSNBXLYTVVLLM-UHFFFAOYSA-N
Formula: C16H12O6
Molecular Weight: 300.263493
Exact Mass: 300.063388
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Ling, S.K., Komorita, A., Tanaka, T., Fujioka, T., Mihashi, K., Kouno, I. Chem Pharm Bull (2002) 50, 1035-40
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) | 161.4 |
| 2 (C) | 128.7 |
| 3 (C) | 161.6 |
| 4 (CH) | 109.7 |
| 4a (C) | 135.4 |
| 5 (CH) | 111.2 |
| 6 (C) | 161.9 |
| 7 (CH) | 121.6 |
| 8 (CH) | 129.5 |
| 8a (C) | 126.8 |
| 9 (C) | 179.3 |
| 9a (C) | 117.8 |
| 10 (C) | 182.7 |
| 10a (C) | 134 |
| 1a (CH3) | 62.3 |
| 2a (CH2) | 52.3 |
