Spektraris NMR
Xanthone XI
Common Name: Xanthone XI
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H28O15/c1-36-12-2-8-11(3-9(12)28)38-13-4-10(29)15(19(32)16(13)17(8)30)21-22(20(33)18(31)14(5-26)39-21)40-24-23(34)25(35,6-27)7-37-24/h2-4,14,18,20-24,26-29,31-35H,5-7H2,1H3/t14-,18-,20+,21+,22-,23-,24-,25+/m1/s1
InChIKey: InChIKey=GTRLQDJSEMBQNI-LUJLBCBVSA-N
Formula: C25H28O15
Molecular Weight: 568.481812
Exact Mass: 568.14282
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) | 162.7 |
| 2 (C) | 107.3 |
| 3 (C) | 163.7 |
| 4 (CH) | 93.2 |
| 4a (C) | 156 |
| 5 (CH) | 102.6 |
| 6 (C) | 154.5 |
| 7 (C) | 145.9 |
| 8 (CH) | 105.2 |
| 8a (C) | 111.3 |
| 9 (C) | 178.6 |
| 9a (C) | 101 |
| 10a (C) | 151.6 |
| 1' (CH) | 71.2 |
| 2' (CH) | 74.3 |
| 3' (CH) | 79 |
| 4' (CH) | 70.6 |
| 5' (CH) | 80.9 |
| 6' (CH2) | 61.2 |
| 1'' (CH) | 108.7 |
| 2'' (CH) | 75.8 |
| 3'' (C) | 79 |
| 4'' (CH2) | 73.2 |
| 5'' (CH2) | 64.2 |
| 7a (CH3) | 55.8 |
