Spektraris NMR
Mammea A/BA
Common Name: Mammea A/BA
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H26O5/c1-14(2)10-11-17-23(28)21-18(16-8-6-5-7-9-16)13-20(27)30-25(21)22(24(17)29)19(26)12-15(3)4/h5-10,13,15,28-29H,11-12H2,1-4H3
InChIKey: InChIKey=SBHOAZQBEGVQLJ-UHFFFAOYSA-N
Formula: C25H26O5
Molecular Weight: 406.471882
Exact Mass: 406.178024
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Verotta, L., Lovaglio, E., Vidari, G., Finzi, P.V., Neri, M.G., Raimondi, A., Parapini, S., Taramelli, D., Riva, A., Bombardelli, E. Phytochemistry (2004) 65, 2867-79
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) | 158.5 |
| 3 (CH) | 112.1 |
| 4 (C) | 156.9 |
| 5 (C) | 154.1 |
| 6 (C) | 112.6 |
| 7 (C) | 166.8 |
| 8 (C) | 104.1 |
| 9 (C) | 155.6 |
| 10 (C) | 100.4 |
| 1' (C) | 136.7 |
| 2' (CH) | 127.4 |
| 3' (CH) | 129.5 |
| 4' (CH) | 130.1 |
| 5' (CH) | 129.5 |
| 6' (CH) | 127.4 |
| 6a (CH2) | 21.5 |
| 6b (CH) | 120.7 |
| 6c (C) | 134 |
| 6d (CH3) | 25.6 |
| 6e (CH3) | 17.8 |
| 8a (C) | 206.5 |
| 8b (CH2) | 53.6 |
| 8c (CH) | 26.4 |
| 8d (CH3) | 22.6 |
| 8e (CH3) | 22.6 |
