Spektraris NMR
6,8,1'-tri-O-Methylaverantin
Common Name: 6,8,1'-tri-O-Methylaverantin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H26O7/c1-5-6-7-8-16(29-3)20-15(24)11-14-19(23(20)27)22(26)18-13(21(14)25)9-12(28-2)10-17(18)30-4/h9-11,16,24,27H,5-8H2,1-4H3
InChIKey: InChIKey=FRGXUZKVGGIONY-UHFFFAOYSA-N
Formula: C23H26O7
Molecular Weight: 414.44922
Exact Mass: 414.167853
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) | 163.1 |
| 2 (C) | 119.8 |
| 3 (C) | 162.9 |
| 4 (CH) | 108.1 |
| 4a (C) | 134 |
| 5 (CH) | 105.4 |
| 6 (C) | 166.2 |
| 7 (CH) | 105.1 |
| 8 (C) | 164.4 |
| 8a (C) | 115.3 |
| 9 (C) | 187.3 |
| 9a (C) | 111 |
| 10 (C) | 182.7 |
| 10a (C) | 138 |
| 1' (CH) | 79.8 |
| 2' (CH2) | 35.2 |
| 3' (CH2) | 25.7 |
| 4' (CH2) | 32.3 |
| 5' (CH2) | 23.2 |
| 6' (CH3) | 14.2 |
| 1'' (CH3) | 56.9 |
| 1''' (CH3) | 56.5 |
| 1'a (CH3) | 58.2 |
