Spektraris NMR
9-Benzoyl-5-methoxy-4-phenylnodakenetin
Common Name: 9-Benzoyl-5-methoxy-4-phenylnodakenetin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H24O6/c1-28(2,31)20-14-19-25(32-3)22-18(16-10-6-4-7-11-16)15-21(29)34-27(22)23(26(19)33-20)24(30)17-12-8-5-9-13-17/h4-13,15,20,31H,14H2,1-3H3/t20-/m0/s1
InChIKey: InChIKey=JOTSDYBJINAHSK-FQEVSTJZSA-N
Formula: C28H24O6
Molecular Weight: 456.487613
Exact Mass: 456.157289
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cao S.G., Wu X.H., Sim K.Y., Tan B.H.K., Vittal J.J. Helv Chim Acta (1998) 81, 1404
Species:
Notes: Family : Flavonoids, Type : Neoflavonoids; 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 (C) | 159.4 |
| 3 (CH) | 113.4 |
| 4 (C) | 155.2 |
| 5 (C) | 154.9 |
| 6 (C) | 114.4 |
| 7 (C) | 161.8 |
| 8 (C) | 106.8 |
| 9 (C) | 153.8 |
| 10 (C) | 106.4 |
| 1' (C) | 139.5 |
| 2' (CH) | 127 |
| 3' (CH) | 127.6 |
| 4' (CH) | 128.4 |
| 5' (CH) | 127.6 |
| 6' (CH) | 127 |
| 5a (CH3) | 59.3 |
| 6a (CH2) | 28.3 |
| 6b (CH) | 91.4 |
| 6c (C) | 71.3 |
| 6d (CH3) | 25.6 |
| 6ca (CH3) | 24.5 |
| 8a (C) | 190.8 |
| 8b (C) | 137.4 |
| 8c (CH) | 129.7 |
| 8d (CH) | 128.6 |
| 8e (CH) | 133.8 |
| 8f (CH) | 128.6 |
| 8g (CH) | 129.7 |
