Spektraris NMR
Xanthone IX
Common Name: Xanthone IX
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H28O14/c1-8-17(29)20(32)22(34)24(35-8)39-23-21(33)19(31)15(7-26)38-25(23)36-10-5-12(28)16-14(6-10)37-13-3-2-9(27)4-11(13)18(16)30/h2-6,8,15,17,19-29,31-34H,7H2,1H3/t8-,15+,17-,19+,20+,21-,22+,23+,24-,25+/m0/s1
InChIKey: InChIKey=VWOARAFDOWHQIV-SHRZQLHVSA-N
Formula: C25H28O14
Molecular Weight: 552.482408
Exact Mass: 552.147906
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Jiang, Y., Zhang, W., Tu, P., Xu, X. J Nat Prod (2005) 68, 875-9
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) | 162.4 |
| 2 (CH) | 98.2 |
| 3 (C) | 163.7 |
| 4 (CH) | 94.2 |
| 4a (C) | 157.2 |
| 5 (CH) | 119.2 |
| 6 (CH) | 125 |
| 7 (C) | 154.2 |
| 8 (CH) | 108 |
| 8a (C) | 120.4 |
| 9 (C) | 180.3 |
| 9a (C) | 103.5 |
| 10a (C) | 149.2 |
| 1' (CH) | 97.6 |
| 2' (CH) | 76.2 |
| 3' (CH) | 77 |
| 4' (CH) | 69.7 |
| 5' (CH) | 77.2 |
| 6' (CH2) | 60.5 |
| 1'' (CH) | 100.5 |
| 2'' (CH) | 70.4 |
| 3'' (CH) | 70.5 |
| 4'' (CH) | 71.8 |
| 5'' (CH) | 68.4 |
| 6'' (CH3) | 18.1 |
