Spektraris NMR
(2S,3R)-4',5,7-tri-O-methyldihydrogenistein-(2α→7)-(2R)-2,4,4',6-tetra-O-methylmaesopsin
Common Name: (2S,3R)-4',5,7-tri-O-methyldihydrogenistein-(2α→7)-(2R)-2,4,4',6-tetra-O-methylmaesopsin
Synonyms: 4H-1-Benzopyran-4-one, 2-[(2R)-2,3-dihydro- 2,4,6-trimethoxy-2-[(4-methoxyphenyl)methyl]-3-oxo-7- benzofuranyl]-2,3-dihydro-5,7-dimethoxy-3-(4-methoxyphenyl)- , (2S,3R)-
CAS Registry Number: 247589-30-6
InChI:
InChIKey:
Formula: C37H36O11
Molecular Weight: 656.68
Exact Mass: 656.2258
NMR Solvent: CDCl3
MHz: not indicated
Calibration: TMS
NMR references: Bekker, R., Brandt, E., Ferreira, D. (1999). Biflavonoids. Part 4. Structure and Stereochemistry of Novel Flavanone- and the First Isoflavanone-benzofuranone Biflavonoids. Tetrahedron 55, 10005-10012.
Species: synthesis - Bekker, R., Brandt, E., Ferreira, D. (1999). Biflavonoids. Part 4. Structure and Stereochemistry of Novel Flavanone- and the First Isoflavanone-benzofuranone Biflavonoids. Tetrahedron 55, 10005-10012.
Notes: 1H NMR spectra recorded on a Bruker AM-300 spectrometer. Only 1H NMR performed by Bekker et al. Labeling of atoms differs here than in Bekker et al.
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 2 | 5.61 | d | 10.5 |
| 3 | 4.66 | d | 10.5 |
| 6 (may be interchanged with 8) | 5.99 | d | 2 |
| 8 (may be interchanged with 6) | 5.98 | d | 2 |
| 2', 6' | 7.32 | d | 8.5 |
| 3', 5' | 6.84 | d | 8.5 |
| 2"-OCH3 | 3.24 | s | |
| 5" | 5.93 | s | |
| 10" | 3.13 | d | 14, 14 |
| 10" | 3.05 | d | 14, 14 |
| 2''', 6''' | 7.01 | d | 8.5 |
| 3''', 5''' | 6.65 | d | 8.5 |
| OCH3 | 3.89 | s | |
| OCH3 | 3.87 | s | |
| OCH3 | 3.86 | s | |
| OCH3 | 3.79 | s | |
| OCH3 | 3.78 | s | |
| OCH3 | 3.73 | s |
