Spektraris NMR
Broussoflavonol
Common Name: Broussoflavonol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H34O7/c1-8-30(6,7)19-13-22(33)25(34)18(12-10-16(4)5)23(19)29-27(36)26(35)24-21(32)14-20(31)17(28(24)37-29)11-9-15(2)3/h8-10,13-14,31-34,36H,1,11-12H2,2-7H3
InChIKey: InChIKey=LNOPNKDCFQVJGR-UHFFFAOYSA-N
Formula: C30H34O7
Molecular Weight: 506.587897
Exact Mass: 506.230453
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) | 147.8 |
| 3 (C) | 135.6 |
| 4 (C) | 174.9 |
| 5 (C) | 158.9 |
| 6 (CH) | 100.5 |
| 7 (C) | 161.1 |
| 8 (C) | 109.6 |
| 9 (C) | 155.1 |
| 10 (C) | 104.7 |
| 1' (C) | 121.4 |
| 2' (C) | 126.4 |
| 3' (C) | 141.5 |
| 4' (C) | 144 |
| 5' (CH) | 113.8 |
| 6' (C) | 130.8 |
| 8a (CH2) | 29.2 |
| 8b (CH) | 122.9 |
| 8c (C) | 132.1 |
| 8d (CH3) | 25.4 |
| 8ac (CH3) | 17.7 |
| 2'a (CH2) | 26.2 |
| 2'b (CH) | 121.1 |
| 2'c (C) | 134.2 |
| 2'd (CH3) | 25.6 |
| 2'ac (CH3) | 17.9 |
| 6'a (C) | 40.5 |
| 6'b (CH) | 148.5 |
| 6'c (CH2) | 113.1 |
| 6'aa (CH3) | 28 |
| 6'ab (CH3) | 27.4 |
