Spektraris NMR
9-Benzoyl-6-hydroxy-5-methoxy-4-phenylnodakenetin
Common Name: 9-Benzoyl-6-hydroxy-5-methoxy-4-phenylnodakenetin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H24O7/c1-28(2,32)27-23(31)21-24(33-3)19-17(15-10-6-4-7-11-15)14-18(29)34-25(19)20(26(21)35-27)22(30)16-12-8-5-9-13-16/h4-14,23,27,31-32H,1-3H3/t23-,27+/m1/s1
InChIKey: InChIKey=PIVLHMBRCYLGSY-KCWPFWIISA-N
Formula: C28H24O7
Molecular Weight: 472.487018
Exact Mass: 472.152203
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) | 159.1 |
| 3 (CH) | 113.5 |
| 4 (C) | 155.2 |
| 5 (C) | 156.6 |
| 6 (C) | 115.9 |
| 7 (C) | 161.6 |
| 8 (C) | 106.2 |
| 9 (C) | 155.6 |
| 10 (C) | 106 |
| 1' (C) | 139.8 |
| 2' (CH) | 126.9 |
| 3' (CH) | 128 |
| 4' (CH) | 127.6 |
| 5' (CH) | 128 |
| 6' (CH) | 126.9 |
| 5a (CH3) | 59.4 |
| 6a (CH) | 71.2 |
| 6b (CH) | 90.3 |
| 6c (C) | 72.8 |
| 6d (CH3) | 24.7 |
| 6ca (CH3) | 28.3 |
| 8a (C) | 190.9 |
| 8b (C) | 137.6 |
| 8c (CH) | 129.7 |
| 8d (CH) | 128.6 |
| 8e (CH) | 133.8 |
| 8f (CH) | 128.6 |
| 8g (CH) | 129.7 |
