Spektraris NMR
Broussonol A
Common Name: Broussonol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H24O7/c1-6-24(2,3)18-15(27)11-14(26)17-19(29)20(30)22(31-23(17)18)13-9-12-7-8-25(4,5)32-21(12)16(28)10-13/h6-11,26-28,30H,1H2,2-5H3
InChIKey: InChIKey=PSJXCDCTKCAYCB-UHFFFAOYSA-N
Formula: C25H24O7
Molecular Weight: 436.45481
Exact Mass: 436.152203
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) | 147.4 |
| 3 (C) | 136.6 |
| 4 (C) | 176.7 |
| 5 (C) | 160.1 |
| 6 (CH) | 100.3 |
| 7 (C) | 163.4 |
| 8 (C) | 111.8 |
| 9 (C) | 156.2 |
| 10 (C) | 105.1 |
| 1' (C) | 124.2 |
| 2' (CH) | 116.9 |
| 3' (C) | 146 |
| 4' (C) | 142.7 |
| 5' (C) | 122 |
| 6' (CH) | 118.9 |
| 7' (CH) | 122.6 |
| 8' (CH) | 132.2 |
| 9' (C) | 78 |
| 10' (CH3) | 28.1 |
| 11' (CH3) | 28.1 |
| 8a (C) | 41.8 |
| 8b (CH) | 150.9 |
| 8c (CH2) | 109.6 |
| 8d (CH3) | 30.4 |
| 8e (CH3) | 30.4 |
