Spektraris NMR
Campylopusaurone
Common Name: Campylopusaurone
Synonyms: 4H-1-Benzopyran-4-one, 6-[5-[(Z)-(4,6-dihydroxy-3-oxo-2(3H)-benzofuranylidene)methyl]-2,3-dihydroxyphenyl]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-, (2S)-
CAS Registry Number: 147044-47-1
InChI:
InChIKey:
Formula: C30H20O12
Molecular Weight: 572.478
Exact Mass: 572.0955
NMR Solvent: DMSO-d6
MHz: 300 (1H), 75 (13C)
Calibration: TMS
NMR references: Geiger, H., Markham, K. (1992). Campylopusaurone, An Auronoflavanone Biflavonoid from the Mosses Campylopus clavatus and Campylopus holomitrium. Phytochemistry 31, 4325-4328.
Species: Campylopus clavatus and Campylopus holomitrium
Notes: NMR data and species from Geiger and Markham. NMR data can also be found in Geiger, H., Seeger, T., Hahn, H., Zinsmeister, D., Markham, K., Wong, H. (1993). 1H NMR Assignments in Biflavonoid Spectra by Proton-Detected C-H Correlation. Z. Naturforsch. 48c, 821-826.
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| α | 6.45 | s | |
| 5 | 6.06 | d | 1.6 |
| 7 | 6.14 | d | 1.6 |
| 2' | 7.42 | d | 2 |
| 6' | 6.98 | d | 2 |
| 2" | 5.42 | dd | 2.9, 12.6 |
| 3" | 3.21 | dd | 12.6, 17.1 |
| 3'' | 2.71 | dd | 2.9, 17.1 |
| 8" | 6.05 | s | |
| 2''' | 6.91 | s (meta coupling not resolved) | |
| 5''' | 6.77 | s | |
| 6''' | 6.77 | s (meta coupling not resolved) |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| α | 109.9 |
| 2 | 145.2 |
| 3 | 178.9 |
| 4 | 166.8 |
| 5 | 97.6 |
| 6 | 167.4 |
| 7 | 90.2 |
| 8 | 158.1 |
| 9 | 102.9 |
| 1' | 122.4 |
| 2' | 115.9 |
| 3' | 145.7 |
| 4' | 146.3 |
| 5' | 120.7 |
| 6' | 127.4 |
| 2" | 78.4 |
| 3" | 42.2 |
| 4" | 196.3 |
| 5" | 161.6 |
| 6" | 106.1 |
| 7" | 164.6 |
| 8" | 94.3 |
| 9" | 161.1 |
| 10" | 101.6 |
| 1''' | 129.5 |
| 2''' | 114.3 |
| 3''' | 145.2 |
| 4''' | 145.8 |
| 5''' | 115.3 |
| 6''' | 117.9 |
