Spektraris NMR
Exomexin A
Common Name: Exomexin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H14O6/c1-21-12-8-13(22-2)16(20)17-15(12)11(7-14(19)23-17)9-3-5-10(18)6-4-9/h3-8,18,20H,1-2H3
InChIKey: InChIKey=NMXLTAIWCAJDHP-UHFFFAOYSA-N
Formula: C17H14O6
Molecular Weight: 314.29011
Exact Mass: 314.079038
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Kohler I., Jenett-Siems K., Mockenhaupt F.P., Siems K., Jakupovic J., Gonzalez J.C., Hernandez M.A., Ibarra R.A., Berendsohn W.G., Bienzle U., Eich E. Planta Med (2001) 67, 89
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) | 163 |
| 3 (CH) | 112.5 |
| 4 (C) | 145.1 |
| 5 (C) | 152.4 |
| 6 (CH) | 95 |
| 7 (C) | 152.9 |
| 8 (C) | 127.4 |
| 9 (C) | 158.8 |
| 10 (C) | 104.9 |
| 1' (C) | 132.4 |
| 2' (CH) | 130 |
| 3' (CH) | 115.3 |
| 4' (C) | 159 |
| 5' (CH) | 115.3 |
| 6' (CH) | 130 |
| 5a (CH3) | 56.7 |
| 7a (CH3) | 57 |
