Spektraris NMR
Smeathxanthone B
Common Name: Smeathxanthone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H22O6/c1-12(2)5-4-9-23(3)10-8-13-16(29-23)11-17-19(20(13)26)21(27)18-14(24)6-7-15(25)22(18)28-17/h5-8,10-11,24-26H,4,9H2,1-3H3
InChIKey: InChIKey=UHEJIRYUKLACET-UHFFFAOYSA-N
Formula: C23H22O6
Molecular Weight: 394.418052
Exact Mass: 394.141638
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) | 162.9 |
| 2 (C) | 105.4 |
| 3 (C) | 157.8 |
| 4 (CH) | 95.8 |
| 4a (C) | 158.1 |
| 5 (C) | 138.1 |
| 6 (CH) | 124.8 |
| 7 (CH) | 110.6 |
| 8 (C) | 154.1 |
| 8a (C) | 108.4 |
| 9 (C) | 185.7 |
| 9a (C) | 103.1 |
| 10a (C) | 144.3 |
| 1' (CH) | 115.9 |
| 2' (CH) | 128.1 |
| 3' (C) | 82.1 |
| 4' (CH3) | 27.4 |
| 5' (CH2) | 42.3 |
| 6' (CH2) | 23.4 |
| 7' (CH) | 124.7 |
| 8' (C) | 132.3 |
| 9' (CH3) | 25.8 |
| 10' (CH3) | 18.1 |
