Spektraris NMR
Broussonol C
Common Name: Broussonol C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H26O7/c1-11(2)6-7-13-8-14(9-16(27)20(13)28)23-22(30)21(29)18-15(26)10-17-19(24(18)32-23)25(4,5)12(3)31-17/h6,8-10,12,26-28,30H,7H2,1-5H3
InChIKey: InChIKey=SOQFBCLXNNQJDD-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) | 146.6 |
| 3 (C) | 136.3 |
| 4 (C) | 176.4 |
| 5 (C) | 162.5 |
| 6 (CH) | 94.2 |
| 7 (C) | 165.6 |
| 8 (C) | 113.3 |
| 9 (C) | 152.6 |
| 10 (C) | 104.6 |
| 1' (C) | 122.7 |
| 2' (CH) | 113.5 |
| 3' (C) | 144.8 |
| 4' (C) | 146.2 |
| 5' (C) | 128 |
| 6' (CH) | 120.7 |
| 7' (CH2) | 28.7 |
| 8' (CH) | 122.8 |
| 9' (C) | 133.1 |
| 10' (CH3) | 17.9 |
| 11' (CH3) | 26.1 |
| 8a (C) | 44.3 |
| 8b (CH) | 91.3 |
| 8c (CH3) | 26.2 |
| 8d (CH3) | 21.7 |
| 8e (CH3) | 14.5 |
