Spektraris NMR
1,2,6-Trihydroxy-3-methyl-7,8-dimethoxyanthraquinone
Common Name: 1,2,6-Trihydroxy-3-methyl-7,8-dimethoxyanthraquinone
Synonyms: 1,2,6-Trihydroxy-3-methyl-7,8-dimethoxyanthraquinone
CAS Registry Number:
InChI: InChI=1S/C17H14O7/c1-6-4-7-10(15(22)12(6)19)14(21)11-8(13(7)20)5-9(18)16(23-2)17(11)24-3/h4-5,18-19,22H,1-3H3
InChIKey: InChIKey=VRTPFKPLZCEFKF-UHFFFAOYSA-N
Formula: C17H14O7
Molecular Weight: 330.289515
Exact Mass: 330.073953
NMR Solvent: CD3COCD3
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) | 150.4 |
| 2 (C) | 150.8 |
| 3 (C) | 131.3 |
| 4 (CH) | 122.4 |
| 4a (C) | 132.9 |
| 5 (CH) | 111.9 |
| 6 (C) | 157.4 |
| 7 (C) | 147.3 |
| 8 (C) | 156.6 |
| 8a (C) | 120.2 |
| 9 (C) | 188.8 |
| 9a (C) | 116.3 |
| 10 (C) | 181 |
| 10a (C) | 124.3 |
| 1' (CH3) | 61.5 |
| 3a (CH3) | 16.3 |
| 7a (CH3) | 61.7 |
