Spektraris NMR
Broussoflavonol D tetramethyl ether
Common Name: Broussoflavonol D tetramethyl ether
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H38O7/c1-11-32(4,5)21-16-24(37-9)28-20(14-15-33(6,7)40-28)25(21)30-31(38-10)27(35)26-22(34)17-23(36-8)19(29(26)39-30)13-12-18(2)3/h11-12,14-17,34H,1,13H2,2-10H3
InChIKey: InChIKey=OMJUFSAXOXQTON-UHFFFAOYSA-N
Formula: C33H38O7
Molecular Weight: 546.651868
Exact Mass: 546.261754
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fukai, T., Ikuta, J., Nomura, T. Chem Pharm Bull (1986) 34, 1987-93
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavonols; 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) | 154.4 |
| 3 (C) | 138.4 |
| 4 (C) | 178.5 |
| 5 (C) | 160.2 |
| 6 (CH) | 95.9 |
| 7 (C) | 163.5 |
| 8 (C) | 113 |
| 9 (C) | 157.9 |
| 10 (C) | 106.1 |
| 1' (C) | 120.1 |
| 2' (C) | 121.4 |
| 3' (C) | 143.6 |
| 4' (C) | 145.8 |
| 5' (CH) | 112.9 |
| 6' (C) | 129.3 |
| 3a (CH3) | 60.3 |
| 7a (CH3) | 55.4 |
| 8a (CH2) | 28.3 |
| 8b (CH) | 122.8 |
| 8c (C) | 130.9 |
| 8d (CH3) | 17.8 |
| 8ac (CH3) | 25.3 |
| 2'a (CH) | 119 |
| 2'b (CH) | 130.4 |
| 2'c (C) | 75.6 |
| 2'd (CH3) | 29.4 |
| 2'ac (CH3) | 29.4 |
| 4'a (CH3) | 56.2 |
| 6'a (C) | 40.9 |
| 6'b (CH) | 149.4 |
| 6'c (CH2) | 107 |
| 6'aa (CH3) | 27.7 |
| 6'ab (CH3) | 27.8 |
