Common Name: di(8-daidzeinyl)methane
Synonyms: 4H-1-Benzopyran-4-one, 8,8'-methylenebis[7-hydroxy-3-(4-hydroxyphenyl)-
CAS Registry Number: 1601552-77-5
InChI:
InChIKey:
Formula: C31H20O8
Molecular Weight: 520.49
Exact Mass: 520.1158
NMR Solvent: DMSO-d6
MHz: 400.0
Calibration: TMS
NMR references: Xiao, Y., Zhu, X., Yuan, J., Yang, L., Xue, Y., Mao, P., Qu, L. (2014). Synthesis and Characterization of Novel Unnatural Di(8-daidzeinyl)methane. Chem. Nat. Compd. 50, 76-79.
Species: synthesis - Xiao, Y., Zhu, X., Yuan, J., Yang, L., Xue, Y., Mao, P., Qu, L. (2014). Synthesis and Characterization of Novel Unnatural Di(8-daidzeinyl)methane. Chem. Nat. Compd. 50, 76-79.
Notes: Peak types and coupling constants were not reported in 1H NMR data.
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 2 | 8.31 | ||
| 5 | 7.83 | ||
| 6 | 6.88 | ||
| 2', 6' | 7.37 | ||
| 3', 5' | 6.78 | ||
| CH2 | 4.28 | ||
| 7-OH | 10.55 | ||
| 4'-OH | 9.51 |
| Position | PPM |
|---|---|
| 2 | 153.1 |
| 3 | 123.1 |
| 4 | 175.6 |
| 5 | 124.8 |
| 6 | 114.6 |
| 7 | 160.7 |
| 8 | 113.8 |
| 9 | 156.2 |
| 10 | 117 |
| 1' | 123.4 |
| 2', 6' | 130.5 |
| 3', 5' | 115.4 |
| 4' | 157.5 |
| CH2 | 17.4 |