Spektraris NMR
8-(1,1-dimethylallyl)genistein
Common Name: 8-(1,1-dimethylallyl)genistein
Synonyms: 8-(1,1-dimethylallyl)genistein
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: C5D5N
MHz:
Calibration:
NMR references: 13C - Rahman, M.M., Sarker, S.D., Byres, M., Gray, A.I. J Nat Prod (2004) 67, 402-6
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) | 153.2 |
| 3 (C) | 123.3 |
| 4 (C) | 182.4 |
| 5 (C) | 161.9 |
| 6 (CH) | 101.3 |
| 7 (C) | 165 |
| 8 (C) | 112.5 |
| 9 (C) | 157.2 |
| 10 (C) | 106.7 |
| 1' (C) | 122.8 |
| 2' (CH) | 131.3 |
| 3' (CH) | 116.7 |
| 4' (C) | 159.6 |
| 5' (CH) | 116.7 |
| 6' (CH) | 131.3 |
| 1'' (C) | 41.9 |
| 2'' (CH) | 151 |
| 3'' (CH2) | 108.4 |
| 4'' (CH3) | 26 |
| 5'' (CH3) | 26 |
