Spektraris NMR
Burttinol B diacetate
Common Name: Burttinol B diacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H22O5/c1-14(24)27-17-6-7-18(21(12-17)25-4)16-11-15-5-8-20-19(22(15)26-13-16)9-10-23(2,3)28-20/h5-12H,13H2,1-4H3
InChIKey: InChIKey=OHTOVIZXZPQWEJ-UHFFFAOYSA-N
Formula: C23H22O5
Molecular Weight: 378.418647
Exact Mass: 378.146724
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) | 68.1 |
| 3 (C) | 128.9 |
| 4 (CH) | 122.6 |
| 5 (CH) | 127.2 |
| 6 (CH) | 109.5 |
| 7 (C) | 153.9 |
| 8 (C) | 108.8 |
| 9 (C) | 149.3 |
| 10 (C) | 117 |
| 1' (C) | 125.3 |
| 2' (C) | 158.2 |
| 3' (CH) | 105.7 |
| 4' (C) | 152.1 |
| 5' (CH) | 109.5 |
| 6' (CH) | 129.8 |
| 2'' (C) | 76.1 |
| 3'' (CH) | 129.8 |
| 4'' (CH) | 116.4 |
| 5'' (CH3) | 27.3 |
| 6'' (CH3) | 27.3 |
| 2'a (CH3) | 55.5 |
| 4'a (C) | 168.9 |
| 4'b (CH3) | 20.3 |
