Spektraris NMR
Baeckein B
Common Name: Baeckein B
Synonyms: 4H,8H-[2]Benzopyrano[3,4-h]-1-benzopyran-4,8-dione, 2-(3,4-dihydroxyphenyl)-3,5,11,12-tetrahydroxy-6-methyl-
CAS Registry Number: 1357865-67-8
InChI:
InChIKey:
Formula: C23H14O10
Molecular Weight: 450.355
Exact Mass: 450.0587
NMR Solvent: DMSO-d6
MHz: 500 (1H), 125 (13C)
Calibration: TMS
NMR references: Jia, B., Yang, J., Chen, X., Cao, Y., Lai, M., Wang, Q. (2011). Baeckeins A and B, Two Novel 6-Methylflavonoids from the Roots of Baeckea frutescens. Helv. Chim. Acta 94, 2283-2288.
Species: Baeckea frutescens - Jia, B., Yang, J., Chen, X., Cao, Y., Lai, M., Wang, Q. (2011). Baeckeins A and B, Two Novel 6-Methylflavonoids from the Roots of Baeckea frutescens. Helv. Chim. Acta 94, 2283-2288.
Notes: Trivial atom numbering
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 2' | 6.83 | d | 8.5 |
| 5' | 7.84 | d | 2.2 |
| 6' | 7.64 | dd | 8.5, 2.2 |
| 5'' | 7.12 | d | 8.4 |
| 6'' | 7.7 | d | 8.4 |
| 6-CH3 | 2.25 | s | |
| 5-OH | 13.5 | s |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 | 147.9 |
| 3 | 136.4 |
| 4 | 176 |
| 5 | 157.6 |
| 6 | 105.6 |
| 7 | 153.4 |
| 8 | 98.3 |
| 9 | 149.4 |
| 10 | 106.1 |
| 1' | 121.8 |
| 2' | 115.3 |
| 3' | 144.7 |
| 4' | 148.3 |
| 5' | 116.1 |
| 6' | 120.7 |
| 1'' | 112.5 |
| 2'' | 119.3 |
| 3'' | 140.9 |
| 4'' | 152.9 |
| 5'' | 115.4 |
| 6'' | 122.4 |
| 7'' | 160 |
| 6-CH3 | 7.4 |
