Spektraris NMR
6,8-di-O-Methyl versiconol
Common Name: 6,8-di-O-Methyl versiconol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H20O8/c1-27-10-5-11-16(14(6-10)28-2)20(26)17-12(18(11)24)7-13(23)15(19(17)25)9(8-22)3-4-21/h5-7,9,21-23,25H,3-4,8H2,1-2H3
InChIKey: InChIKey=QAOFEISHCMZANP-UHFFFAOYSA-N
Formula: C20H20O8
Molecular Weight: 388.368772
Exact Mass: 388.115818
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Shao, C., She, Z., Guo, Z., Peng, H., Cai, X., Zhou, S., Gu, Y., Lin, Y. Magn Reson Chem (2007) 45, 434-8
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) | 163.14 |
| 2 (C) | 123.27 |
| 3 (C) | 162.04 |
| 4 (CH) | 106.71 |
| 4a (C) | 131.05 |
| 5 (CH) | 104.43 |
| 6 (C) | 164.57 |
| 7 (CH) | 104.48 |
| 8 (C) | 162.87 |
| 8a (C) | 114.01 |
| 9 (C) | 185.96 |
| 9a (C) | 109.4 |
| 10 (C) | 181.85 |
| 10a (C) | 136.47 |
| 1' (CH) | 35.22 |
| 2' (CH2) | 32.63 |
| 3' (CH2) | 60.02 |
| 1'' (CH3) | 56.53 |
| 1''' (CH3) | 55.98 |
| 1'a (CH2) | 62.79 |
