Spektraris NMR
O-Demethylforbexanthone
Common Name: O-Demethylforbexanthone
Synonyms: O-Demethylforbexanthone
CAS Registry Number:
InChI: InChI=1S/C18H14O6/c1-18(2)4-3-8-5-10-14(21)13-11(20)6-9(19)7-12(13)23-17(10)15(22)16(8)24-18/h3-7,19-20,22H,1-2H3
InChIKey: InChIKey=WBKWHYDUDXOZIU-UHFFFAOYSA-N
Formula: C18H14O6
Molecular Weight: 326.300846
Exact Mass: 326.079038
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Nguyen, L.H., Venkatraman, G., Sim, K.Y., Harrison, L.J. Phytochemistry (2005) 66, 1718-23
Species:
Notes: Family : Aromatics, Type : Xanthones; 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 |
|---|---|
| 1 (C) | 164.6 |
| 2 (CH) | 98.9 |
| 3 (C) | 166.1 |
| 4 (CH) | 94.8 |
| 4a (C) | 158.7 |
| 5 (C) | 134.3 |
| 6 (C) | 146.6 |
| 7 (C) | 119.3 |
| 8 (CH) | 113.2 |
| 8a (C) | 115.3 |
| 9 (C) | 180.9 |
| 9a (C) | 103.2 |
| 10a (C) | 146.8 |
| 1' (CH) | 122.1 |
| 2' (CH) | 132.4 |
| 3' (C) | 78.8 |
| 4' (CH3) | 28.3 |
| 5' (CH3) | 28.3 |
