Spektraris NMR
Mammea A/AB dioxalanocyclo F
Common Name: Mammea A/AB dioxalanocyclo F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H24O7/c1-5-12(2)19(27)17-20(28)16-14(13-9-7-6-8-10-13)11-15(26)29-21(16)18-22(17)30-24-23(18)31-32-25(24,3)4/h6-12,23-24,28H,5H2,1-4H3/t12?,23-,24+/m1/s1
InChIKey: InChIKey=SQBZDGYHAWUFPT-BPWWNTLPSA-N
Formula: C25H24O7
Molecular Weight: 436.45481
Exact Mass: 436.152203
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) | 158.8 |
| 3 (CH) | 113.1 |
| 4 (C) | 157.1 |
| 5 (C) | 166.5 |
| 6 (C) | 103.2 |
| 7 (C) | 164.6 |
| 8 (C) | 102.9 |
| 9 (C) | 156.2 |
| 10 (C) | 102.4 |
| 1' (C) | 139 |
| 2' (CH) | 127.2 |
| 3' (CH) | 127.7 |
| 4' (CH) | 128.3 |
| 5' (CH) | 127.7 |
| 6' (CH) | 127.2 |
| 6a (C) | 209.3 |
| 6b (CH) | 45.7 |
| 6c (CH2) | 26.5 |
| 6d (CH3) | 11.9 |
| 6ba (CH3) | 16.7 |
| 8a (CH) | 81.8 |
| 8b (CH) | 99.4 |
| 8c (C) | 85.7 |
| 8d (CH3) | 18.4 |
| 8ca (CH3) | 23.6 |
