Spektraris NMR
2'-Hydroxy-5-prenylneobaraisoflavanone
Common Name: 2'-Hydroxy-5-prenylneobaraisoflavanone
Synonyms: 2'-Hydroxy-5-prenylneobaraisoflavanone
CAS Registry Number:
InChI: InChI=1S/C25H28O5/c1-14(2)5-7-16-11-19-23(12-22(16)27)30-13-20(25(19)29)17-9-10-21(26)18(24(17)28)8-6-15(3)4/h5-6,9-12,20,26-28H,7-8,13H2,1-4H3
InChIKey: InChIKey=JBALWYDBIPVNKZ-UHFFFAOYSA-N
Formula: C25H28O5
Molecular Weight: 408.487763
Exact Mass: 408.193674
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - McKee, T.C., Bokesch, H.R., McCormick, J.L., Rashid, M.A., Spielvogel, D., Gustafson, K.R., Alavanja, M.M., Cardelline, J.H., 2nd, Boyd, M.R. J Nat Prod (1997) 60, 431-8
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavanones; 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 (CH2) | 72.1 |
| 3 (CH) | 48.3 |
| 4 (C) | 195.2 |
| 5 (CH) | 129 |
| 6 (C) | 125.1 |
| 7 (C) | 165 |
| 8 (CH) | 108.6 |
| 9 (C) | 164.4 |
| 10 (C) | 114.4 |
| 1' (C) | 116.3 |
| 2' (C) | 155.1 |
| 3' (C) | 117.9 |
| 4' (C) | 156.7 |
| 5' (CH) | 102.9 |
| 6' (CH) | 127.3 |
| 1'' (CH2) | 28.4 |
| 2'' (CH) | 123.3 |
| 3'' (C) | 133.5 |
| 4'' (CH3) | 18 |
| 5'' (CH3) | 25.9 |
| 1''' (CH2) | 23.5 |
| 2''' (CH) | 124.2 |
| 3''' (C) | 131.9 |
| 4''' (CH3) | 17.8 |
| 5''' (CH3) | 25.9 |
