Spektraris NMR
Broussonol E
Common Name: Broussonol E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H26O7/c1-12(2)5-7-14-9-15(10-18(27)21(14)28)25-24(31)23(30)20-19(32-25)11-17(26)16(22(20)29)8-6-13(3)4/h5-6,9-11,26-29,31H,7-8H2,1-4H3
InChIKey: InChIKey=NQBROFAEMRVICP-UHFFFAOYSA-N
Formula: C25H26O7
Molecular Weight: 438.470692
Exact Mass: 438.167853
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Zhang, P.C., Wang, S., Wu, Y., Chen, R.Y., Yu, D.Q. J Nat Prod (2001) 64, 1206-9
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) | 146.8 |
| 3 (C) | 136.5 |
| 4 (C) | 176.3 |
| 5 (C) | 158.8 |
| 6 (C) | 111.6 |
| 7 (C) | 162.5 |
| 8 (CH) | 93.7 |
| 9 (C) | 155.5 |
| 10 (C) | 103.9 |
| 1' (C) | 122.8 |
| 2' (CH) | 113.2 |
| 3' (C) | 144.9 |
| 4' (C) | 146.2 |
| 5' (C) | 129 |
| 6' (CH) | 121.7 |
| 1'' (CH2) | 28.9 |
| 2'' (CH) | 123.3 |
| 3'' (C) | 132.8 |
| 4'' (CH3) | 17.8 |
| 5'' (CH3) | 25.8 |
| 6a (CH2) | 21.9 |
| 6b (CH) | 123.3 |
| 6c (C) | 131.5 |
| 6d (CH3) | 17.8 |
| 6e (CH3) | 25.7 |
