Spektraris NMR
5-Deoxylicoisoflavanone
Common Name: 5-Deoxylicoisoflavanone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H18O5/c1-20(2)8-7-14-16(25-20)6-5-12(18(14)22)15-10-24-17-9-11(21)3-4-13(17)19(15)23/h3-9,15,21-22H,10H2,1-2H3
InChIKey: InChIKey=XCAPUWLNGWQEIS-UHFFFAOYSA-N
Formula: C20H18O5
Molecular Weight: 338.354676
Exact Mass: 338.115424
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) | 71.9 |
| 3 (CH) | 48.8 |
| 4 (C) | 194.6 |
| 5 (CH) | 130.3 |
| 6 (CH) | 111.8 |
| 7 (C) | 166.6 |
| 8 (CH) | 103.6 |
| 9 (C) | 165.5 |
| 10 (C) | 115.2 |
| 1' (C) | 117.3 |
| 2' (C) | 152.1 |
| 3' (C) | 112.4 |
| 4' (C) | 154.3 |
| 5' (CH) | 109.8 |
| 6' (CH) | 130.3 |
| 1'' (CH) | 118 |
| 2'' (CH) | 130.2 |
| 3'' (C) | 76.5 |
| 4'' (CH3) | 27.8 |
| 5'' (CH3) | 27.9 |
