Spektraris NMR
5-Hydroxyneobavaisoflavanone
Common Name: 5-Hydroxyneobavaisoflavanone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H20O5/c1-11(2)3-5-14-17(22)8-7-13(19(14)23)16-10-25-18-9-12(21)4-6-15(18)20(16)24/h3-4,6-9,16,21-23H,5,10H2,1-2H3
InChIKey: InChIKey=LNXMEHXPWCVVID-UHFFFAOYSA-N
Formula: C20H20O5
Molecular Weight: 340.370558
Exact Mass: 340.131074
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 |
| 3 (CH) | 48.2 |
| 4 (C) | 195.2 |
| 5 (CH) | 131.9 |
| 6 (CH) | 111.7 |
| 7 (C) | 155.5 |
| 8 (CH) | 103.4 |
| 9 (C) | 165.6 |
| 10 (C) | 114.9 |
| 1' (C) | 116 |
| 2' (C) | 156.7 |
| 3' (C) | 117.8 |
| 4' (C) | 155 |
| 5' (CH) | 108.5 |
| 6' (CH) | 127.3 |
| 1'' (CH2) | 23.4 |
| 2'' (CH) | 124.1 |
| 3'' (C) | 130.5 |
| 4'' (CH3) | 17.9 |
| 5'' (CH3) | 25.8 |
