Spektraris NMR
Mesuagin (Mammea A/AD cyclo D)
Common Name: Mesuagin (Mammea A/AD cyclo D)
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H22O5/c1-13(2)20(26)19-21(27)18-16(14-8-6-5-7-9-14)12-17(25)28-22(18)15-10-11-24(3,4)29-23(15)19/h5-13,27H,1-4H3
InChIKey: InChIKey=SVCPILBFQWTZFW-UHFFFAOYSA-N
Formula: C24H22O5
Molecular Weight: 390.429383
Exact Mass: 390.146724
NMR Solvent: CD3COCD3
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) | 158.2 |
| 3 (CH) | 112.4 |
| 4 (C) | 155.8 |
| 5 (C) | 164.3 |
| 6 (C) | 106.6 |
| 7 (C) | 154.9 |
| 8 (C) | 101.4 |
| 9 (C) | 157.7 |
| 10 (C) | 102 |
| 1' (C) | 139.5 |
| 2' (CH) | 127.9 |
| 3' (CH) | 129.4 |
| 4' (CH) | 127.9 |
| 5' (CH) | 129.4 |
| 6' (CH) | 127.9 |
| 6a (C) | 211.7 |
| 6b (CH) | 39.6 |
| 6c (CH3) | 18.6 |
| 6d (CH3) | 18.6 |
| 8a (CH) | 114.7 |
| 8b (CH) | 127.1 |
| 8c (C) | 80.1 |
| 8d (CH3) | 28 |
| 8e (CH3) | 28 |
