Spektraris NMR
Anhydrobartramiaflavone
Common Name: Anhydrobartramiaflavone
Synonyms: 8,10:18,20-Diethanylylidene-10H,20H-tetrabenzo[b,d,h,j][1,7]dioxacyclododecin-22,24-dione, 3,4,5,7,13,14,15,17-octahydroxy- (9CI)
CAS Registry Number: 135117-92-9
InChI:
InChIKey:
Formula: C30H16O12
Molecular Weight: 568.446
Exact Mass: 568.0642
NMR Solvent: DMSO-d6
MHz: 400 (1H), 100 (13C)
Calibration: not indicated
NMR references: Seeger, T., Geiger, H., Zinsmeister, H. (1991). Bartramiaflavone, A Macrocyclic Biflavonoid from the Moss Bartramia pomiformis. Phytochemistry 30, 1653-1656.
Species: synthesis
Notes: Other reference containing NMR data: 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) |
|---|---|---|---|
| 3 | 6.26 | s | |
| 3'' | 6.26 | s | |
| 6 | 5.74 | s | |
| 6'' | 5.74 | s | |
| 5' | 6.73 | d | 8 |
| 5''' | 6.73 | d | 8 |
| 6' | 6.8 | d | 8 |
| 6''' | 6.8 | d | 8 |
| OH-5 | 12.64 | s | |
| OH-5'' | 12.64 | s |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 | 167.1 |
| 3 | 108.9 |
| 4 | 181.6 |
| 5 | 160.4 |
| 6 | 98.6 |
| 7 | 163 |
| 8 | 103.1 |
| 9 | 154.6 |
| 10 | 102.7 |
| 1' | 125.5 |
| 2' | 119.1 |
| 3' | 144.4 |
| 4' | 147 |
| 5' | 113.9 |
| 6' | 118.7 |
| 2" | 167.1 |
| 3" | 108.9 |
| 4" | 181.6 |
| 5" | 160.4 |
| 6" | 98.6 |
| 7" | 163 |
| 8" | 103.1 |
| 9" | 154.6 |
| 10" | 102.7 |
| 1''' | 125.5 |
| 2''' | 119.1 |
| 3''' | 144.4 |
| 4''' | 147 |
| 5''' | 113.9 |
| 6''' | 118.7 |
