Spektraris NMR
Burttinol B
Common Name: Burttinol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H20O4/c1-21(2)9-8-17-18(25-21)7-4-13-10-14(12-24-20(13)17)16-6-5-15(22)11-19(16)23-3/h4-11,22H,12H2,1-3H3
InChIKey: InChIKey=XUIBQVKBXKPTJX-UHFFFAOYSA-N
Formula: C21H20O4
Molecular Weight: 336.381889
Exact Mass: 336.136159
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yenesew, A., Midiwo, J.O., Guchu, S.M., Heydenreich, M., Peter, M.G. Phytochemistry (2002) 59, 337-41
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavenes; 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 (CH2) | 68.4 |
| 3 (C) | 128.9 |
| 4 (CH) | 121.4 |
| 5 (CH) | 126.5 |
| 6 (CH) | 109.3 |
| 7 (C) | 153.1 |
| 8 (C) | 109.6 |
| 9 (C) | 149 |
| 10 (C) | 117 |
| 1' (C) | 120.4 |
| 2' (C) | 158.3 |
| 3' (CH) | 99.1 |
| 4' (C) | 156.8 |
| 5' (CH) | 107.3 |
| 6' (CH) | 129.4 |
| 2'' (C) | 76.2 |
| 3'' (CH) | 129.4 |
| 4'' (CH) | 116.6 |
| 5'' (CH3) | 27.7 |
| 6'' (CH3) | 27.7 |
| 2'a (CH3) | 55.3 |
