Spektraris NMR
Aulacomniumbiaureusidin
Common Name: Aulacomniumbiaureusidin
Synonyms: 3(2H)-Benzofuranone, 5-[5-[(4,6-dihydroxy-3-oxo-2(3H)-benzofuranylidene)methyl]-2,3-dihydroxyphenyl]-2-[(3,4-dihydroxyphenyl)methylene]-4,6-dihydroxy-
CAS Registry Number: 155334-81-9
InChI:
InChIKey:
Formula: C30H18O12
Molecular Weight: 570.46
Exact Mass: 570.0798
NMR Solvent: DMSO-d6
MHz: 500 (1H), 125 (13C)
Calibration: not indicated
NMR references: Hahn, H., Seeger, T., Geiger, H., Zinsmeister, H., Markham, K., Wong, H. (1995). The First Biaurone, a Triflavone and Biflavonoids from Two Aulacomnium Species. Phytochemistry 40, 573-576.
Species: Aulacomnium palustre, Aulacomnium androgynum
Notes: NMR data and references from Hahn et al. Coupling contants for 1H NMR not supplied. Other literature with NMR data for this compound: 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) |
|---|---|---|---|
| 5 | 6.06 | d (meta-coupled) | |
| 7 | 6.15 | d (meta-coupled) | |
| 10 (α carbon) | 6.45 | s | |
| 2' | 7.41 | d (meta-coupled) | |
| 6' | 7.03 | d (meta-coupled) | |
| 7" | 6.36 | s | |
| 10" (α carbon) | 6.5 | s | |
| 2''' | 7.44 | d (meta-coupled) | |
| 5''' | 6.83 | d (ortho-coupled) | |
| 6''' | 7.2 | ddom |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 | 145.5 |
| 3 | 179 |
| 4 | 166.8 |
| 5 | 97.6 |
| 6 | 167.4 |
| 7 | 90.2 |
| 8 | 158.1 |
| 9 | 102.9 |
| 10 (α carbon) | 109.9 |
| 1' | 122.4 |
| 2' | 115.8 |
| 3' | 145.7 |
| 4' | 147.5 |
| 5' | 120.8 |
| 6' | 127.3 |
| 2" | 145.9 |
| 3" | 180.1 |
| 4" | 165.8 |
| 5" | 108.7 |
| 6" | 165.2 |
| 7" | 90.5 |
| 8" | 158.1 |
| 9" | 102.9 |
| 10" (α carbon) | 109.5 |
| 1''' | 123.7 |
| 2''' | 117.5 |
| 3''' | 145.5 |
| 4''' | 147.5 |
| 5''' | 115.8 |
| 6''' | 124 |
