Spektraris NMR
Smeathxanthone A
Common Name: Smeathxanthone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H24O6/c1-12(2)5-4-6-13(3)7-8-14-17(26)11-18-20(21(14)27)22(28)19-15(24)9-10-16(25)23(19)29-18/h5,7,9-11,24-27H,4,6,8H2,1-3H3/b13-7+
InChIKey: InChIKey=TWEXJIOSYZXWGT-NTUHNPAUSA-N
Formula: C23H24O6
Molecular Weight: 396.433933
Exact Mass: 396.157289
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Komguem, J., Meli, A.L., Manfouo, R.N., Lontsi, D., Ngounou, F.N., Kuete, V., Kamdem, H.W., Tane, P., Ngadjui, B.T., Sondengam, B.L., Connolly, J.D. Phytochemistry (2005) 66, 1713-7
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) | 160.9 |
| 2 (C) | 102.5 |
| 3 (C) | 165 |
| 4 (CH) | 94.6 |
| 4a (C) | 156.7 |
| 5 (C) | 138 |
| 6 (CH) | 124.2 |
| 7 (CH) | 110.2 |
| 8 (C) | 154.1 |
| 8a (C) | 108.4 |
| 9 (C) | 185.6 |
| 9a (C) | 102.5 |
| 10a (C) | 144.5 |
| 1' (CH2) | 21.9 |
| 2' (CH) | 122.9 |
| 3' (C) | 135.6 |
| 4' (CH2) | 40.5 |
| 5' (CH2) | 27.4 |
| 6' (CH) | 125.1 |
| 7' (C) | 131.6 |
| 8' (CH3) | 25.8 |
| 9' (CH3) | 17.7 |
| 10' (CH3) | 16.3 |
