Spektraris NMR
8-(1,1-Dimethylallyl)genistein
Common Name: 8-(1,1-Dimethylallyl)genistein
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H18O5/c1-4-20(2,3)17-15(23)9-14(22)16-18(24)13(10-25-19(16)17)11-5-7-12(21)8-6-11/h4-10,21-23H,1H2,2-3H3
InChIKey: InChIKey=PONIGBFVAFAGSR-UHFFFAOYSA-N
Formula: C20H18O5
Molecular Weight: 338.354676
Exact Mass: 338.115424
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ahn, E.M., Nakamura, N., Akao, T., Komatsu, K., Qui, M.H., Hattori, M. Phytochemistry (2003) 64, 1389-94
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavones; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 (CH) | 151.7 |
| 3 (C) | 123.1 |
| 4 (C) | 181.3 |
| 5 (C) | 161 |
| 6 (CH) | 101.6 |
| 7 (C) | 161.7 |
| 8 (C) | 109.7 |
| 9 (C) | 156.2 |
| 10 (C) | 106.8 |
| 1' (C) | 122.8 |
| 2' (CH) | 130.3 |
| 3' (CH) | 115.6 |
| 4' (C) | 155.9 |
| 5' (CH) | 115.6 |
| 6' (CH) | 130.3 |
| 1'' (C) | 40.9 |
| 2'' (CH) | 148.9 |
| 3'' (CH2) | 113.7 |
| 4'' (CH3) | 27.8 |
| 5'' (CH3) | 27.8 |
