Spektraris NMR
6,8-di-O-Methyl averufin
Common Name: 6,8-di-O-Methyl averufin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H20O7/c1-22-6-4-5-13(28-22)18-15(29-22)9-12-17(21(18)25)20(24)16-11(19(12)23)7-10(26-2)8-14(16)27-3/h7-9,13,25H,4-6H2,1-3H3
InChIKey: InChIKey=UOWSTUZKQCORDT-UHFFFAOYSA-N
Formula: C22H20O7
Molecular Weight: 396.390839
Exact Mass: 396.120903
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shao, C., Wang, C., Wei, M., Li, S., She, Z., Gu, Y., Lin, Y. Magn Reson Chem (2008) 46, 886-9
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) | 159.6 |
| 2 (C) | 116.8 |
| 3 (C) | 159.6 |
| 4 (CH) | 107 |
| 4a (C) | 132.5 |
| 5 (CH) | 104 |
| 6 (C) | 164.9 |
| 7 (CH) | 104.8 |
| 8 (C) | 162.8 |
| 8a (C) | 115.3 |
| 9 (C) | 186.8 |
| 9a (C) | 104 |
| 10 (C) | 182.6 |
| 10a (C) | 137.6 |
| 1' (CH) | 67.1 |
| 2' (CH2) | 27.4 |
| 3' (CH2) | 16 |
| 4' (CH2) | 35.9 |
| 5' (C) | 100.9 |
| 6' (CH3) | 27.8 |
| 1'' (CH3) | 56.6 |
| 1''' (CH3) | 56 |
