Spektraris NMR
Burttinol A diacetate
Common Name: Burttinol A diacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H26O6/c1-7-25(4,5)21-11-17-10-18(14-29-22(17)13-24(21)31-16(3)27)20-9-8-19(30-15(2)26)12-23(20)28-6/h7-13H,1,14H2,2-6H3
InChIKey: InChIKey=JRWYRWNOPVOOKS-UHFFFAOYSA-N
Formula: C25H26O6
Molecular Weight: 422.471287
Exact Mass: 422.172939
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) | 67.9 |
| 3 (C) | 129 |
| 4 (CH) | 122.3 |
| 5 (CH) | 125.5 |
| 6 (C) | 132.7 |
| 7 (C) | 152.5 |
| 8 (CH) | 111.8 |
| 9 (C) | 149.5 |
| 10 (C) | 121.1 |
| 1' (C) | 125 |
| 2' (C) | 158.3 |
| 3' (CH) | 105.8 |
| 4' (C) | 152.3 |
| 5' (CH) | 109.5 |
| 6' (CH) | 131.5 |
| 1'' (C) | 39.8 |
| 2'' (CH) | 147.6 |
| 3'' (CH2) | 114.2 |
| 4'' (CH3) | 27.5 |
| 5'' (CH3) | 27.5 |
| 7a (C) | 168.9 |
| 7b (CH3) | 21 |
| 2'a (CH3) | 55.5 |
| 4'a (C) | 168.7 |
| 4'b (CH3) | 20.4 |
