Spektraris NMR
3-Hydroxyblancoxanthone
Common Name: 3-Hydroxyblancoxanthone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H22O6/c1-6-22(2,3)15-19-12(9-10-23(4,5)29-19)17(26)14-16(25)11-7-8-13(24)18(27)20(11)28-21(14)15/h6-10,24,26-27H,1H2,2-5H3
InChIKey: InChIKey=XRVLGJCHUWXTDX-UHFFFAOYSA-N
Formula: C23H22O6
Molecular Weight: 394.418052
Exact Mass: 394.141638
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.C., Wang, L.T., Khalil, A.T., Chiang, L.C., Cheng, P.W. Chem Pharm Bull (2005) 53, 244-7
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 (CH) | 116.2 |
| 2 (CH) | 112.8 |
| 3 (C) | 151 |
| 4 (C) | 132.8 |
| 4a (C) | 146 |
| 5 (C) | 113.6 |
| 6 (C) | 158.8 |
| 7 (C) | 104.9 |
| 8 (C) | 155.2 |
| 8a (C) | 113.4 |
| 9 (C) | 181 |
| 9a (C) | 102.9 |
| 10a (C) | 156.5 |
| 1' (C) | 41 |
| 2' (CH) | 152 |
| 3' (CH2) | 106.5 |
| 4' (CH3) | 29.1 |
| 5' (CH3) | 29.1 |
| 1'' (CH) | 115.5 |
| 2'' (CH) | 127.2 |
| 3'' (C) | 78.2 |
| 4'' (CH3) | 27.2 |
| 5'' (CH3) | 27.2 |
