Spektraris NMR
(2R,3S)-4',5,7-tri-O-methylnaringenin-(3α→5)-(2S)-2,4,4',6-tetra-O-methylmaesopsin
Common Name: (2R,3S)-4',5,7-tri-O-methylnaringenin-(3α→5)-(2S)-2,4,4',6-tetra-O-methylmaesopsin
Synonyms: 4H-1-Benzopyran-4-one, 3-[(2S)-2,3-dihydro- 2,4,6-trimethoxy-2-[(4-methoxyphenyl)methyl]-3-oxo-5- benzofuranyl]-2,3-dihydro-5,7-dimethoxy-2-(4-methoxyphenyl)- , (2R,3S)-
CAS Registry Number: 247589-29-3
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 | 5.65 | d | 12 |
| 3 | 4.56 | d | 12 |
| 6 (may be interchanged with 8) | 6.15 | d | 2 |
| 8 (may be interchanged with 6) | 6.18 | d | 2 |
| 2', 6' | 7.15 | d | 9 |
| 3', 5' (may be interchanged with 3''', 5''') | 6.76 | d | 9 |
| 2"-OCH3 | 3.21 | s | |
| 7" | 6.08 | s | |
| 10" | 3.15 | d | 14, 14 |
| 10" | 3.04 | d | |
| 2''', 6''' | 7.11 | d | 9 |
| 3''', 5''' (may be interchanged with 3', 5') | 6.74 | d | 9 |
| OCH3 | 3.89 | s | |
| OCH3 | 3.84 | s | |
| OCH3 | 3.8 | s | |
| OCH3 | 3.79 | s | |
| OCH3 | 3.75 | s | |
| OCH3 | 3.69 | s |
