Spektraris NMR
(+)-Volkensiflavone-7'-sulfate
Common Name: (+)-Volkensiflavone-7'-sulfate
Synonyms: [3,8'-Bi-4H-1-benzopyran]-4,4'-dione, 2,3-dihydro-5,5',7-trihydroxy-2,2'-bis(4-hydroxyphenyl)-7'-(sulfooxy)-, (2R,3S)-
CAS Registry Number: 500761-05-7
InChI:
InChIKey:
Formula: C30H20O13S1
Molecular Weight: 620.54
Exact Mass: 620.0625
NMR Solvent: DMSO-d6
MHz: not specified
Calibration: Calibrated relative to deuterated solvent
NMR references: Li, X., Joshi, A., Tan, B., ElSohly, H., Walker, L., Zjawiony, J., Ferreira, D. (2002). Absolute configuration, conformation, and chiral properties of flavanone-(3→8")-flavone biflavonoids from Rheedia acuminata. Tetrahedron 58, 8709-8717.
Species: Rheedia acuminata - Li, X., Joshi, A., Tan, B., ElSohly, H., Walker, L., Zjawiony, J., Ferreira, D. (2002). Absolute configuration, conformation, and chiral properties of flavanone-(3→8")-flavone biflavonoids from Rheedia acuminata. Tetrahedron 58, 8709-8717.
Notes: 13C signals represent major conformer.
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 2 | 5.79 | d | 11.9 |
| 3 | 4.96 | d | 11.9 |
| 6 | 5.92 | br s | |
| 8 | 5.92 | br s | |
| 2', 6' | 7.15 | d | 8.4 |
| 3', 5' | 6.29 | d | 8.2 |
| 5-OH | 12.24 | s | |
| 3"-OH | 6.71 | s | |
| 6"-OH | 7.06 | s | |
| 2'''-OH | 7.94 | d | 8.6 |
| 3'''-OH | 6.94 | d | 8.6 |
| 5'''-OH | 6.94 | d | 8.6 |
| 6'''-OH | 7.94 | d | 8.6 |
| 5"-OH | 12.96 | s | |
| 2 | 5.58 | d | 12.3 |
| 3 | 5.05 | d | 12.3 |
| 6 | 6 | br s | |
| 8 | 6 | br s | |
| 3', 5' | 6.57 | d | 8.9 |
| 5-OH | 12.1 | s | |
| 2'''-OH | 7.65 | d | 8.5 |
| 3'''-OH | 6.64 | d | 8.5 |
| 5'''-OH | 6.64 | d | 8.5 |
| 6'''-OH | 7.65 | d | 8.5 |
| 5"-OH | 12.8 | s | |
| 2 | 5.86 | br (multiplicity impossible to determine) | |
| 3 | 4.94 | br (multiplicity impossible to determine) | |
| 6 (may be interchanged with 8) | 5.98 | br s | |
| 8 (may be interchanged with 6) | 5.99 | br s | |
| 2', 6' | 7.16 | d | 8.3 |
| 3', 5' | 6.47 | br d (multiplicity impossible to determine) | 6 |
| 5-OH | 12.04 | br (multiplicity impossible to determine) | |
| 3"-OH | 6.59 | s | |
| 6"-OH | 7.08 | br (multiplicity impossible to determine) | |
| 2'''-OH | 7.75 | d | 7.6 |
| 3'''-OH | 6.91 | br (multiplicity impossible to determine) | |
| 5'''-OH | 6.91 | br (multiplicity impossible to determine) | |
| 6'''-OH | 7.75 | d | 7.6 |
| 5"-OH | 12.69 | br (multiplicity impossible to determine) |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 | 81.1 |
| 3 | 48.7 |
| 4 | 195.6 |
| 5 | 163 |
| 6 | 95.4 |
| 7 (may be interchanged with 2") | 164 |
| 8 | 96.3 |
| 9 | 166.6 |
| 10 | 101.6 |
| 1' | 128.5 |
| 2' | 128.7 |
| 3' | 114.4 |
| 4' | 157.3 |
| 5' | 114.4 |
| 6' | 128.7 |
| 2" (may be interchanged with 7) | 164.2 |
| 3" (may be interchanged with 6") | 102.6 |
| 4" | 182.1 |
| 5" | 160 |
| 6" (may be interchanged with 3") | 102.5 |
| 7" | 157.7 |
| 8" | 104.3 |
| 9" | 154.5 |
| 10" | 105.3 |
| 1''' | 121 |
| 2''' | 113.6 |
| 3''' | 145.8 |
| 4''' | 150 |
| 5''' | 116.3 |
| 6''' | 119.7 |
