Spektraris NMR
Mammea A/AB cyclo E
Common Name: Mammea A/AB cyclo E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H26O6/c1-5-13(2)21(28)20-22(29)19-15(14-9-7-6-8-10-14)12-18(27)30-23(19)16-11-17(26)25(3,4)31-24(16)20/h6-10,12-13,17,26,29H,5,11H2,1-4H3
InChIKey: InChIKey=ULCACFIDJDAIOB-UHFFFAOYSA-N
Formula: C25H26O6
Molecular Weight: 422.471287
Exact Mass: 422.172939
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Guilet D., Seraphin D., Rondeau D., Richomme P., Bruneton J. Phytochemistry (2001) 58, 571-5
Species:
Notes: Family : Flavonoids, Type : Neoflavonoids; 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 (C) | 159.8 |
| 3 (CH) | 112 |
| 4 (C) | 156.7 |
| 5 (C) | 165 |
| 6 (C) | 102.8 |
| 7 (C) | 163.9 |
| 8 (C) | 104.8 |
| 9 (C) | 155.5 |
| 10 (C) | 102.5 |
| 1' (C) | 139.1 |
| 2' (CH) | 127.2 |
| 3' (CH) | 127.6 |
| 4' (CH) | 128.2 |
| 5' (CH) | 127.6 |
| 6' (CH) | 127.2 |
| 6a (C) | 209.6 |
| 6b (CH) | 45.6 |
| 6c (CH2) | 26.4 |
| 6d (CH3) | 11.7 |
| 6ba (CH3) | 16.5 |
| 8a (CH2) | 27.1 |
| 8b (CH) | 89 |
| 8c (C) | 83 |
| 8d (CH3) | 19.9 |
| 8ca (CH3) | 20.5 |
