Spektraris NMR
Burttinol C
Common Name: Burttinol C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H22O4/c1-13(2)4-7-18-19(23)9-5-14-10-15(12-25-21(14)18)17-8-6-16(22)11-20(17)24-3/h4-6,8-11,22-23H,7,12H2,1-3H3
InChIKey: InChIKey=VRTQHEPVVCLRMQ-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) | 68.4 |
| 3 (C) | 128.9 |
| 4 (CH) | 121.8 |
| 5 (CH) | 125 |
| 6 (CH) | 108.7 |
| 7 (C) | 155.1 |
| 8 (C) | 114.4 |
| 9 (C) | 151.9 |
| 10 (C) | 117.1 |
| 1' (C) | 120.7 |
| 2' (C) | 158.4 |
| 3' (CH) | 99.1 |
| 4' (C) | 156.6 |
| 5' (CH) | 107.3 |
| 6' (CH) | 129.4 |
| 1'' (CH2) | 22.4 |
| 2'' (CH) | 121.9 |
| 3'' (C) | 134.5 |
| 4'' (CH3) | 17.9 |
| 5'' (CH3) | 25.8 |
| 2'a (CH3) | 55.4 |
