Spektraris NMR
Burttinol A
Common Name: Burttinol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H22O4/c1-5-21(2,3)17-9-13-8-14(12-25-19(13)11-18(17)23)16-7-6-15(22)10-20(16)24-4/h5-11,22-23H,1,12H2,2-4H3
InChIKey: InChIKey=VJEUNRYOMSNQQE-UHFFFAOYSA-N
Formula: C21H22O4
Molecular Weight: 338.39777
Exact Mass: 338.151809
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) | 68.3 |
| 3 (C) | 129.4 |
| 4 (CH) | 121.1 |
| 5 (CH) | 124.5 |
| 6 (C) | 125.4 |
| 7 (C) | 155 |
| 8 (CH) | 104.8 |
| 9 (C) | 153.3 |
| 10 (C) | 116.8 |
| 1' (C) | 120.2 |
| 2' (C) | 158.3 |
| 3' (CH) | 99.2 |
| 4' (C) | 157 |
| 5' (CH) | 107.3 |
| 6' (CH) | 129.3 |
| 1'' (C) | 39.7 |
| 2'' (CH) | 148 |
| 3'' (CH2) | 113.3 |
| 4'' (CH3) | 27.1 |
| 5'' (CH3) | 27.1 |
| 2'a (CH3) | 55.3 |
